(11S,15S)-17-oxa-13-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene

C15H15NO — CID 54415078

IUPAC(11S,15S)-17-oxa-13-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene
SMILESc1ccc2c3c(ccc2c1)[C@H]1CNC[C@H]1CO3
InChIInChI=1S/C15H15NO/c1-2-4-12-10(3-1)5-6-13-14-8-16-7-11(14)9-17-15(12)13/h1-6,11,14,16H,7-9H2/t11-,14-/m0/s1
InChIKeyVWVGXEXWZNTHIG-FZMZJTMJSA-N
MW225.29 g/mol
LogP2.54
Rot. Bonds

About (11S,15S)-17-oxa-13-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene

(11S,15S)-17-oxa-13-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene (PubChem CID 54415078) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is (11S,15S)-17-oxa-13-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene.

Molecular Properties

Compound Name(11S,15S)-17-oxa-13-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene
PubChem CID54415078
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name(11S,15S)-17-oxa-13-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene
SMILESc1ccc2c3c(ccc2c1)[C@H]1CNC[C@H]1CO3
InChIInChI=1S/C15H15NO/c1-2-4-12-10(3-1)5-6-13-14-8-16-7-11(14)9-17-15(12)13/h1-6,11,14,16H,7-9H2/t11-,14-/m0/s1
InChIKeyVWVGXEXWZNTHIG-FZMZJTMJSA-N
XLogP2.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(13R,17S)-11-oxa-15-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene
CID 67721503
(11S,14R)-16-oxatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6,8-pentaen-12-one
CID 164680920
4-chloro-3,4-dihydro-2H-benzo[h]chromen-3-ol
CID 100944396
3-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine
CID 43537547
(3aS,10bS)-7-bromo-2,3,3a,4,5,10b-hexahydro-1H-[1]benzoxepino[4,5-c]pyrrole
CID 67167237
(5S)-2,3,4,5-tetrahydrobenzo[i][1]benzoxepin-5-ol
CID 79014244
14-oxa-10-azatetracyclo[7.5.1.02,7.012,15]pentadeca-1(15),2,4,6,8-pentaene
CID 59962431
7-pyridin-4-yl-2,3,3a,4,5,10b-hexahydro-1H-[1]benzoxepino[4,5-c]pyrrole
CID 67167529
15-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2,4,6,8-pentaene
CID 171371673
2-cyclopropyl-6-naphthalen-1-ylmorpholine
CID 55171806
13-propan-2-yl-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 102516604
(4aR,10bS)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine;hydrochloride
CID 175798216

Frequently Asked Questions

What is the IUPAC name of (11S,15S)-17-oxa-13-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene?
The IUPAC name of (11S,15S)-17-oxa-13-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene (CID 54415078) is (11S,15S)-17-oxa-13-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene.
What is the SMILES notation for (11S,15S)-17-oxa-13-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene?
The canonical SMILES for (11S,15S)-17-oxa-13-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene is c1ccc2c3c(ccc2c1)[C@H]1CNC[C@H]1CO3.
What is the InChIKey of (11S,15S)-17-oxa-13-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene?
The InChIKey is VWVGXEXWZNTHIG-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H15NO/c1-2-4-12-10(3-1)5-6-13-14-8-16-7-11(14)9-17-15(12)13/h1-6,11,14,16H,7-9H2/t11-,14-/m0/s1.
What are the key properties of (11S,15S)-17-oxa-13-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene?
(11S,15S)-17-oxa-13-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene has a molecular weight of 225.29 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11S,15S)-17-oxa-13-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene is sourced from PubChem (CID 54415078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).