11-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;9-propan-2-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene;9-propan-2-yl-5,6-dihydro-4H-benzo[de]quinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;5-propan-2-yl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;6-propan-2-yl-10-oxa-4-azatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene

C96H110N6O4S — CID 158972004

IUPAC11-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;9-propan-2-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene;9-propan-2-yl-5,6-dihydro-4H-benzo[de]quinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;5-propan-2-yl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;6-propan-2-yl-10-oxa-4-azatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene
SMILESCC(C)c1cc2c(s1)CCC2.CC(C)c1ccc2c3c(ccnc13)CC2.CC(C)c1ccc2c3c(ccnc13)CCC2.CC(C)c1ccc2c3c(ccnc13)CCCO2.CC(C)c1ccc2c3c(ccnc13)CCO2.CC(C)c1ccc2c3c1ccn3CCO2.Cc1cc2c3c(ccnc3c1C(C)C)CCO2
InChIInChI=1S/2C15H17NO.C15H17N.C14H15NO.C14H15N.C13H15NO.C10H14S/c1-9(2)13-10(3)8-12-14-11(5-7-17-12)4-6-16-15(13)14;1-10(2)12-5-6-13-14-11(4-3-9-17-13)7-8-16-15(12)14;1-10(2)13-7-6-11-4-3-5-12-8-9-16-15(13)14(11)12;1-9(2)11-3-4-12-13-10(6-8-16-12)5-7-15-14(11)13;1-9(2)12-6-5-10-3-4-11-7-8-15-14(12)13(10)11;1-9(2)10-3-4-12-13-11(10)5-6-14(13)7-8-15-12;1-7(2)10-6-8-4-3-5-9(8)11-10/h4,6,8-9H,5,7H2,1-3H3;5-8,10H,3-4,9H2,1-2H3;6-10H,3-5H2,1-2H3;3-5,7,9H,6,8H2,1-2H3;5-9H,3-4H2,1-2H3;3-6,9H,7-8H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyJNXUWNNPXCTPMC-UHFFFAOYSA-N
MW1444.04 g/mol
LogP24.40
Rot. Bonds7

About 11-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;9-propan-2-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene;9-propan-2-yl-5,6-dihydro-4H-benzo[de]quinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;5-propan-2-yl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;6-propan-2-yl-10-oxa-4-azatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene

11-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;9-propan-2-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene;9-propan-2-yl-5,6-dihydro-4H-benzo[de]quinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;5-propan-2-yl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;6-propan-2-yl-10-oxa-4-azatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene (PubChem CID 158972004) has the molecular formula C96H110N6O4S and a molecular weight of 1444.04 g/mol. Its IUPAC name is 11-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;9-propan-2-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene;9-propan-2-yl-5,6-dihydro-4H-benzo[de]quinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;5-propan-2-yl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;6-propan-2-yl-10-oxa-4-azatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene.

Molecular Properties

Compound Name11-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;9-propan-2-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene;9-propan-2-yl-5,6-dihydro-4H-benzo[de]quinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;5-propan-2-yl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;6-propan-2-yl-10-oxa-4-azatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene
PubChem CID158972004
Molecular FormulaC96H110N6O4S
Molecular Weight1444.04 g/mol
Exact Mass1442.83
IUPAC Name11-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;9-propan-2-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene;9-propan-2-yl-5,6-dihydro-4H-benzo[de]quinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;5-propan-2-yl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;6-propan-2-yl-10-oxa-4-azatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene
SMILESCC(C)c1cc2c(s1)CCC2.CC(C)c1ccc2c3c(ccnc13)CC2.CC(C)c1ccc2c3c(ccnc13)CCC2.CC(C)c1ccc2c3c(ccnc13)CCCO2.CC(C)c1ccc2c3c(ccnc13)CCO2.CC(C)c1ccc2c3c1ccn3CCO2.Cc1cc2c3c(ccnc3c1C(C)C)CCO2
InChIInChI=1S/2C15H17NO.C15H17N.C14H15NO.C14H15N.C13H15NO.C10H14S/c1-9(2)13-10(3)8-12-14-11(5-7-17-12)4-6-16-15(13)14;1-10(2)12-5-6-13-14-11(4-3-9-17-13)7-8-16-15(12)14;1-10(2)13-7-6-11-4-3-5-12-8-9-16-15(13)14(11)12;1-9(2)11-3-4-12-13-10(6-8-16-12)5-7-15-14(11)13;1-9(2)12-6-5-10-3-4-11-7-8-15-14(12)13(10)11;1-9(2)10-3-4-12-13-11(10)5-6-14(13)7-8-15-12;1-7(2)10-6-8-4-3-5-9(8)11-10/h4,6,8-9H,5,7H2,1-3H3;5-8,10H,3-4,9H2,1-2H3;6-10H,3-5H2,1-2H3;3-5,7,9H,6,8H2,1-2H3;5-9H,3-4H2,1-2H3;3-6,9H,7-8H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyJNXUWNNPXCTPMC-UHFFFAOYSA-N
XLogP24.40
TPSA106.30 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms107
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001444.04
LogP ≤ 524.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 11-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;9-propan-2-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene;9-propan-2-yl-5,6-dihydro-4H-benzo[de]quinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;5-propan-2-yl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;6-propan-2-yl-10-oxa-4-azatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;9-propan-2-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene;9-propan-2-yl-5,6-dihydro-4H-benzo[de]quinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;5-propan-2-yl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;6-propan-2-yl-10-oxa-4-azatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene?
The IUPAC name of 11-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;9-propan-2-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene;9-propan-2-yl-5,6-dihydro-4H-benzo[de]quinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;5-propan-2-yl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;6-propan-2-yl-10-oxa-4-azatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene (CID 158972004) is 11-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;9-propan-2-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene;9-propan-2-yl-5,6-dihydro-4H-benzo[de]quinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;5-propan-2-yl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;6-propan-2-yl-10-oxa-4-azatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene.
What is the SMILES notation for 11-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;9-propan-2-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene;9-propan-2-yl-5,6-dihydro-4H-benzo[de]quinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;5-propan-2-yl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;6-propan-2-yl-10-oxa-4-azatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene?
The canonical SMILES for 11-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;9-propan-2-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene;9-propan-2-yl-5,6-dihydro-4H-benzo[de]quinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;5-propan-2-yl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;6-propan-2-yl-10-oxa-4-azatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene is CC(C)c1cc2c(s1)CCC2.CC(C)c1ccc2c3c(ccnc13)CC2.CC(C)c1ccc2c3c(ccnc13)CCC2.CC(C)c1ccc2c3c(ccnc13)CCCO2.CC(C)c1ccc2c3c(ccnc13)CCO2.CC(C)c1ccc2c3c1ccn3CCO2.Cc1cc2c3c(ccnc3c1C(C)C)CCO2.
What is the InChIKey of 11-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;9-propan-2-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene;9-propan-2-yl-5,6-dihydro-4H-benzo[de]quinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;5-propan-2-yl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;6-propan-2-yl-10-oxa-4-azatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene?
The InChIKey is JNXUWNNPXCTPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H17NO.C15H17N.C14H15NO.C14H15N.C13H15NO.C10H14S/c1-9(2)13-10(3)8-12-14-11(5-7-17-12)4-6-16-15(13)14;1-10(2)12-5-6-13-14-11(4-3-9-17-13)7-8-16-15(12)14;1-10(2)13-7-6-11-4-3-5-12-8-9-16-15(13)14(11)12;1-9(2)11-3-4-12-13-10(6-8-16-12)5-7-15-14(11)13;1-9(2)12-6-5-10-3-4-11-7-8-15-14(12)13(10)11;1-9(2)10-3-4-12-13-11(10)5-6-14(13)7-8-15-12;1-7(2)10-6-8-4-3-5-9(8)11-10/h4,6,8-9H,5,7H2,1-3H3;5-8,10H,3-4,9H2,1-2H3;6-10H,3-5H2,1-2H3;3-5,7,9H,6,8H2,1-2H3;5-9H,3-4H2,1-2H3;3-6,9H,7-8H2,1-2H3;6-7H,3-5H2,1-2H3.
What are the key properties of 11-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;9-propan-2-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene;9-propan-2-yl-5,6-dihydro-4H-benzo[de]quinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;5-propan-2-yl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;6-propan-2-yl-10-oxa-4-azatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene?
11-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;9-propan-2-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene;9-propan-2-yl-5,6-dihydro-4H-benzo[de]quinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;5-propan-2-yl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;6-propan-2-yl-10-oxa-4-azatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene has a molecular weight of 1444.04 g/mol, XLogP of 24.40, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;9-propan-2-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene;9-propan-2-yl-5,6-dihydro-4H-benzo[de]quinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;5-propan-2-yl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;6-propan-2-yl-10-oxa-4-azatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene is sourced from PubChem (CID 158972004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).