6-acetyl-6-azatetracyclo[8.6.0.02,4.02,7]hexadeca-1(10),7,11,13,15-pentaen-9-one

C17H15NO2 — CID 123673943

IUPAC6-acetyl-6-azatetracyclo[8.6.0.02,4.02,7]hexadeca-1(10),7,11,13,15-pentaen-9-one
SMILESCC(=O)N1CC2CC23C1=CC(=O)C1=C3C=CC=CC=C1
InChIInChI=1S/C17H15NO2/c1-11(19)18-10-12-9-17(12)14-7-5-3-2-4-6-13(14)15(20)8-16(17)18/h2-8,12H,9-10H2,1H3
InChIKeySNBRCDLKMFQBMO-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.30
Rot. Bonds

About 6-acetyl-6-azatetracyclo[8.6.0.02,4.02,7]hexadeca-1(10),7,11,13,15-pentaen-9-one

6-acetyl-6-azatetracyclo[8.6.0.02,4.02,7]hexadeca-1(10),7,11,13,15-pentaen-9-one (PubChem CID 123673943) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-acetyl-6-azatetracyclo[8.6.0.02,4.02,7]hexadeca-1(10),7,11,13,15-pentaen-9-one.

Molecular Properties

Compound Name6-acetyl-6-azatetracyclo[8.6.0.02,4.02,7]hexadeca-1(10),7,11,13,15-pentaen-9-one
PubChem CID123673943
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name6-acetyl-6-azatetracyclo[8.6.0.02,4.02,7]hexadeca-1(10),7,11,13,15-pentaen-9-one
SMILESCC(=O)N1CC2CC23C1=CC(=O)C1=C3C=CC=CC=C1
InChIInChI=1S/C17H15NO2/c1-11(19)18-10-12-9-17(12)14-7-5-3-2-4-6-13(14)15(20)8-16(17)18/h2-8,12H,9-10H2,1H3
InChIKeySNBRCDLKMFQBMO-UHFFFAOYSA-N
XLogP2.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-6-azatetracyclo[8.6.0.02,4.02,7]hexadeca-1(10),7,11,13,15-pentaen-9-one?
The IUPAC name of 6-acetyl-6-azatetracyclo[8.6.0.02,4.02,7]hexadeca-1(10),7,11,13,15-pentaen-9-one (CID 123673943) is 6-acetyl-6-azatetracyclo[8.6.0.02,4.02,7]hexadeca-1(10),7,11,13,15-pentaen-9-one.
What is the SMILES notation for 6-acetyl-6-azatetracyclo[8.6.0.02,4.02,7]hexadeca-1(10),7,11,13,15-pentaen-9-one?
The canonical SMILES for 6-acetyl-6-azatetracyclo[8.6.0.02,4.02,7]hexadeca-1(10),7,11,13,15-pentaen-9-one is CC(=O)N1CC2CC23C1=CC(=O)C1=C3C=CC=CC=C1.
What is the InChIKey of 6-acetyl-6-azatetracyclo[8.6.0.02,4.02,7]hexadeca-1(10),7,11,13,15-pentaen-9-one?
The InChIKey is SNBRCDLKMFQBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11(19)18-10-12-9-17(12)14-7-5-3-2-4-6-13(14)15(20)8-16(17)18/h2-8,12H,9-10H2,1H3.
What are the key properties of 6-acetyl-6-azatetracyclo[8.6.0.02,4.02,7]hexadeca-1(10),7,11,13,15-pentaen-9-one?
6-acetyl-6-azatetracyclo[8.6.0.02,4.02,7]hexadeca-1(10),7,11,13,15-pentaen-9-one has a molecular weight of 265.31 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-6-azatetracyclo[8.6.0.02,4.02,7]hexadeca-1(10),7,11,13,15-pentaen-9-one is sourced from PubChem (CID 123673943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).