(1S,12S)-5-methyl-19-oxa-10-azapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-3(8),4,6,13,15,17-hexaen-9-one

C18H15NO2 — CID 132500756

IUPAC(1S,12S)-5-methyl-19-oxa-10-azapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-3(8),4,6,13,15,17-hexaen-9-one
SMILESCc1ccc2c(c1)C1C(NC2=O)[C@H]2O[C@@H]1c1ccccc12
InChIInChI=1S/C18H15NO2/c1-9-6-7-12-13(8-9)14-15(19-18(12)20)17-11-5-3-2-4-10(11)16(14)21-17/h2-8,14-17H,1H3,(H,19,20)/t14?,15?,16-,17+/m1/s1
InChIKeyODBQEYBWGWEDLI-BACDZXNISA-N
MW277.32 g/mol
LogP3.02
Rot. Bonds

About (1S,12S)-5-methyl-19-oxa-10-azapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-3(8),4,6,13,15,17-hexaen-9-one

(1S,12S)-5-methyl-19-oxa-10-azapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-3(8),4,6,13,15,17-hexaen-9-one (PubChem CID 132500756) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is (1S,12S)-5-methyl-19-oxa-10-azapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-3(8),4,6,13,15,17-hexaen-9-one.

Molecular Properties

Compound Name(1S,12S)-5-methyl-19-oxa-10-azapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-3(8),4,6,13,15,17-hexaen-9-one
PubChem CID132500756
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name(1S,12S)-5-methyl-19-oxa-10-azapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-3(8),4,6,13,15,17-hexaen-9-one
SMILESCc1ccc2c(c1)C1C(NC2=O)[C@H]2O[C@@H]1c1ccccc12
InChIInChI=1S/C18H15NO2/c1-9-6-7-12-13(8-9)14-15(19-18(12)20)17-11-5-3-2-4-10(11)16(14)21-17/h2-8,14-17H,1H3,(H,19,20)/t14?,15?,16-,17+/m1/s1
InChIKeyODBQEYBWGWEDLI-BACDZXNISA-N
XLogP3.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,12S)-5-methyl-19-oxa-10-azapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-3(8),4,6,13,15,17-hexaen-9-one with MolForge

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Related Compounds

(1S,12S)-6-methyl-19-oxa-10-azapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-3(8),4,6,13,15,17-hexaen-9-one
CID 132500764
methyl (1S,12S)-9-oxo-19-oxa-10-azapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-3(8),4,6,13,15,17-hexaene-5-carboxylate
CID 132500760
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Frequently Asked Questions

What is the IUPAC name of (1S,12S)-5-methyl-19-oxa-10-azapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-3(8),4,6,13,15,17-hexaen-9-one?
The IUPAC name of (1S,12S)-5-methyl-19-oxa-10-azapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-3(8),4,6,13,15,17-hexaen-9-one (CID 132500756) is (1S,12S)-5-methyl-19-oxa-10-azapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-3(8),4,6,13,15,17-hexaen-9-one.
What is the SMILES notation for (1S,12S)-5-methyl-19-oxa-10-azapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-3(8),4,6,13,15,17-hexaen-9-one?
The canonical SMILES for (1S,12S)-5-methyl-19-oxa-10-azapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-3(8),4,6,13,15,17-hexaen-9-one is Cc1ccc2c(c1)C1C(NC2=O)[C@H]2O[C@@H]1c1ccccc12.
What is the InChIKey of (1S,12S)-5-methyl-19-oxa-10-azapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-3(8),4,6,13,15,17-hexaen-9-one?
The InChIKey is ODBQEYBWGWEDLI-BACDZXNISA-N. The full InChI is InChI=1S/C18H15NO2/c1-9-6-7-12-13(8-9)14-15(19-18(12)20)17-11-5-3-2-4-10(11)16(14)21-17/h2-8,14-17H,1H3,(H,19,20)/t14?,15?,16-,17+/m1/s1.
What are the key properties of (1S,12S)-5-methyl-19-oxa-10-azapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-3(8),4,6,13,15,17-hexaen-9-one?
(1S,12S)-5-methyl-19-oxa-10-azapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-3(8),4,6,13,15,17-hexaen-9-one has a molecular weight of 277.32 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,12S)-5-methyl-19-oxa-10-azapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-3(8),4,6,13,15,17-hexaen-9-one is sourced from PubChem (CID 132500756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).