5H-cyclopenta[b]pyridine;3,4-dihydro-2H-chromene;2,3-dihydrofuro[3,2-b]pyridine;methane;tris(2-methylpropane)

C38H62N2O2 — CID 161082469

IUPAC5H-cyclopenta[b]pyridine;3,4-dihydro-2H-chromene;2,3-dihydrofuro[3,2-b]pyridine;methane;tris(2-methylpropane)
SMILESC.C.C1=Cc2ncccc2C1.CC(C)C.CC(C)C.CC(C)C.c1ccc2c(c1)CCCO2.c1cnc2c(c1)OCC2
InChIInChI=1S/C9H10O.C8H7N.C7H7NO.3C4H10.2CH4/c1-2-6-9-8(4-1)5-3-7-10-9;1-3-7-4-2-6-9-8(7)5-1;1-2-7-6(8-4-1)3-5-9-7;3*1-4(2)3;;/h1-2,4,6H,3,5,7H2;1-2,4-6H,3H2;1-2,4H,3,5H2;3*4H,1-3H3;2*1H4
InChIKeyUGBXKZVPSLLLJI-UHFFFAOYSA-N
MW578.93 g/mol
LogP10.94
Rot. Bonds

About 5H-cyclopenta[b]pyridine;3,4-dihydro-2H-chromene;2,3-dihydrofuro[3,2-b]pyridine;methane;tris(2-methylpropane)

5H-cyclopenta[b]pyridine;3,4-dihydro-2H-chromene;2,3-dihydrofuro[3,2-b]pyridine;methane;tris(2-methylpropane) (PubChem CID 161082469) has the molecular formula C38H62N2O2 and a molecular weight of 578.93 g/mol. Its IUPAC name is 5H-cyclopenta[b]pyridine;3,4-dihydro-2H-chromene;2,3-dihydrofuro[3,2-b]pyridine;methane;tris(2-methylpropane).

Molecular Properties

Compound Name5H-cyclopenta[b]pyridine;3,4-dihydro-2H-chromene;2,3-dihydrofuro[3,2-b]pyridine;methane;tris(2-methylpropane)
PubChem CID161082469
Molecular FormulaC38H62N2O2
Molecular Weight578.93 g/mol
Exact Mass578.48
IUPAC Name5H-cyclopenta[b]pyridine;3,4-dihydro-2H-chromene;2,3-dihydrofuro[3,2-b]pyridine;methane;tris(2-methylpropane)
SMILESC.C.C1=Cc2ncccc2C1.CC(C)C.CC(C)C.CC(C)C.c1ccc2c(c1)CCCO2.c1cnc2c(c1)OCC2
InChIInChI=1S/C9H10O.C8H7N.C7H7NO.3C4H10.2CH4/c1-2-6-9-8(4-1)5-3-7-10-9;1-3-7-4-2-6-9-8(7)5-1;1-2-7-6(8-4-1)3-5-9-7;3*1-4(2)3;;/h1-2,4,6H,3,5,7H2;1-2,4-6H,3H2;1-2,4H,3,5H2;3*4H,1-3H3;2*1H4
InChIKeyUGBXKZVPSLLLJI-UHFFFAOYSA-N
XLogP10.94
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.93
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5H-cyclopenta[b]pyridine;3,4-dihydro-2H-chromene;2,3-dihydrofuro[3,2-b]pyridine;methane;tris(2-methylpropane)?
The IUPAC name of 5H-cyclopenta[b]pyridine;3,4-dihydro-2H-chromene;2,3-dihydrofuro[3,2-b]pyridine;methane;tris(2-methylpropane) (CID 161082469) is 5H-cyclopenta[b]pyridine;3,4-dihydro-2H-chromene;2,3-dihydrofuro[3,2-b]pyridine;methane;tris(2-methylpropane).
What is the SMILES notation for 5H-cyclopenta[b]pyridine;3,4-dihydro-2H-chromene;2,3-dihydrofuro[3,2-b]pyridine;methane;tris(2-methylpropane)?
The canonical SMILES for 5H-cyclopenta[b]pyridine;3,4-dihydro-2H-chromene;2,3-dihydrofuro[3,2-b]pyridine;methane;tris(2-methylpropane) is C.C.C1=Cc2ncccc2C1.CC(C)C.CC(C)C.CC(C)C.c1ccc2c(c1)CCCO2.c1cnc2c(c1)OCC2.
What is the InChIKey of 5H-cyclopenta[b]pyridine;3,4-dihydro-2H-chromene;2,3-dihydrofuro[3,2-b]pyridine;methane;tris(2-methylpropane)?
The InChIKey is UGBXKZVPSLLLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C8H7N.C7H7NO.3C4H10.2CH4/c1-2-6-9-8(4-1)5-3-7-10-9;1-3-7-4-2-6-9-8(7)5-1;1-2-7-6(8-4-1)3-5-9-7;3*1-4(2)3;;/h1-2,4,6H,3,5,7H2;1-2,4-6H,3H2;1-2,4H,3,5H2;3*4H,1-3H3;2*1H4.
What are the key properties of 5H-cyclopenta[b]pyridine;3,4-dihydro-2H-chromene;2,3-dihydrofuro[3,2-b]pyridine;methane;tris(2-methylpropane)?
5H-cyclopenta[b]pyridine;3,4-dihydro-2H-chromene;2,3-dihydrofuro[3,2-b]pyridine;methane;tris(2-methylpropane) has a molecular weight of 578.93 g/mol, XLogP of 10.94, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-cyclopenta[b]pyridine;3,4-dihydro-2H-chromene;2,3-dihydrofuro[3,2-b]pyridine;methane;tris(2-methylpropane) is sourced from PubChem (CID 161082469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).