18-hydroxy-17-methyl-16-azabicyclo[12.3.1]octadeca-1(17),14(18)-dien-15-one

C18H29NO2 — CID 102275952

IUPAC18-hydroxy-17-methyl-16-azabicyclo[12.3.1]octadeca-1(17),14(18)-dien-15-one
SMILESCc1[nH]c(=O)c2c(O)c1CCCCCCCCCCCC2
InChIInChI=1S/C18H29NO2/c1-14-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17(15)20)18(21)19-14/h2-13H2,1H3,(H2,19,20,21)
InChIKeyLWBOLYFOBDRRMM-UHFFFAOYSA-N
MW291.43 g/mol
LogP4.39
Rot. Bonds

About 18-hydroxy-17-methyl-16-azabicyclo[12.3.1]octadeca-1(17),14(18)-dien-15-one

18-hydroxy-17-methyl-16-azabicyclo[12.3.1]octadeca-1(17),14(18)-dien-15-one (PubChem CID 102275952) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 18-hydroxy-17-methyl-16-azabicyclo[12.3.1]octadeca-1(17),14(18)-dien-15-one.

Molecular Properties

Compound Name18-hydroxy-17-methyl-16-azabicyclo[12.3.1]octadeca-1(17),14(18)-dien-15-one
PubChem CID102275952
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name18-hydroxy-17-methyl-16-azabicyclo[12.3.1]octadeca-1(17),14(18)-dien-15-one
SMILESCc1[nH]c(=O)c2c(O)c1CCCCCCCCCCCC2
InChIInChI=1S/C18H29NO2/c1-14-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17(15)20)18(21)19-14/h2-13H2,1H3,(H2,19,20,21)
InChIKeyLWBOLYFOBDRRMM-UHFFFAOYSA-N
XLogP4.39
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 18-hydroxy-17-methyl-16-azabicyclo[12.3.1]octadeca-1(17),14(18)-dien-15-one?
The IUPAC name of 18-hydroxy-17-methyl-16-azabicyclo[12.3.1]octadeca-1(17),14(18)-dien-15-one (CID 102275952) is 18-hydroxy-17-methyl-16-azabicyclo[12.3.1]octadeca-1(17),14(18)-dien-15-one.
What is the SMILES notation for 18-hydroxy-17-methyl-16-azabicyclo[12.3.1]octadeca-1(17),14(18)-dien-15-one?
The canonical SMILES for 18-hydroxy-17-methyl-16-azabicyclo[12.3.1]octadeca-1(17),14(18)-dien-15-one is Cc1[nH]c(=O)c2c(O)c1CCCCCCCCCCCC2.
What is the InChIKey of 18-hydroxy-17-methyl-16-azabicyclo[12.3.1]octadeca-1(17),14(18)-dien-15-one?
The InChIKey is LWBOLYFOBDRRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17(15)20)18(21)19-14/h2-13H2,1H3,(H2,19,20,21).
What are the key properties of 18-hydroxy-17-methyl-16-azabicyclo[12.3.1]octadeca-1(17),14(18)-dien-15-one?
18-hydroxy-17-methyl-16-azabicyclo[12.3.1]octadeca-1(17),14(18)-dien-15-one has a molecular weight of 291.43 g/mol, XLogP of 4.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-hydroxy-17-methyl-16-azabicyclo[12.3.1]octadeca-1(17),14(18)-dien-15-one is sourced from PubChem (CID 102275952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).