(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

C18H15NO2 — CID 132500764

IUPAC(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
SMILESCc1ccc2c(c1)C(=O)NC1C2[C@@H]2O[C@H]1c1ccccc12
InChIInChI=1S/C18H15NO2/c1-9-6-7-10-13(8-9)18(20)19-15-14(10)16-11-4-2-3-5-12(11)17(15)21-16/h2-8,14-17H,1H3,(H,19,20)/t14?,15?,16-,17+/m1/s1
InChIKeyDKEHGNBCRPGYJH-BACDZXNISA-N
MW277.32 g/mol
LogP3.02
Rot. Bonds

About (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

(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 (PubChem CID 132500764) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID132500764
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name(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
SMILESCc1ccc2c(c1)C(=O)NC1C2[C@@H]2O[C@H]1c1ccccc12
InChIInChI=1S/C18H15NO2/c1-9-6-7-10-13(8-9)18(20)19-15-14(10)16-11-4-2-3-5-12(11)17(15)21-16/h2-8,14-17H,1H3,(H,19,20)/t14?,15?,16-,17+/m1/s1
InChIKeyDKEHGNBCRPGYJH-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)-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 with MolForge

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Related Compounds

(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
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10-methyl-13,13a-dihydro-6H-quinazolino[2,3-a]phthalazine-5,8-dione
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CID 121370933
2,7b-dihydro-1aH-oxireno[2,3-c]isoquinolin-3-one
CID 153205873
(2S)-2-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 790493
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CID 122484836
(3S)-3-(4-methylphenyl)sulfonyl-2,3-dihydroisoindol-1-one
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5-methyl-1-benzofuran-2,3-dione
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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1ccc2c(c1)C(=O)NC1C2[C@@H]2O[C@H]1c1ccccc12.
What is the InChIKey of (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?
The InChIKey is DKEHGNBCRPGYJH-BACDZXNISA-N. The full InChI is InChI=1S/C18H15NO2/c1-9-6-7-10-13(8-9)18(20)19-15-14(10)16-11-4-2-3-5-12(11)17(15)21-16/h2-8,14-17H,1H3,(H,19,20)/t14?,15?,16-,17+/m1/s1.
What are the key properties of (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?
(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 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)-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 is sourced from PubChem (CID 132500764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).