(1Z,2R,4S,13Z,15Z)-6-acetyl-6-azatetracyclo[8.7.0.02,4.02,7]heptadeca-1(17),7,10,13,15-pentaen-9-one

C18H17NO2 — CID 163698338

IUPAC(1Z,2R,4S,13Z,15Z)-6-acetyl-6-azatetracyclo[8.7.0.02,4.02,7]heptadeca-1(17),7,10,13,15-pentaen-9-one
SMILESCC(=O)N1C[C@H]2C[C@@]23C1=CC(=O)C1=CC/C=C\C=C/C=C\13
InChIInChI=1S/C18H17NO2/c1-12(20)19-11-13-10-18(13)15-8-6-4-2-3-5-7-14(15)16(21)9-17(18)19/h2-4,6-9,13H,5,10-11H2,1H3/b3-2-,6-4-,14-7?,15-8+/t13-,18-/m1/s1
InChIKeyJYUTYADIHYUBCC-CRMQRRCCSA-N
MW279.34 g/mol
LogP2.69
Rot. Bonds

About (1Z,2R,4S,13Z,15Z)-6-acetyl-6-azatetracyclo[8.7.0.02,4.02,7]heptadeca-1(17),7,10,13,15-pentaen-9-one

(1Z,2R,4S,13Z,15Z)-6-acetyl-6-azatetracyclo[8.7.0.02,4.02,7]heptadeca-1(17),7,10,13,15-pentaen-9-one (PubChem CID 163698338) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (1Z,2R,4S,13Z,15Z)-6-acetyl-6-azatetracyclo[8.7.0.02,4.02,7]heptadeca-1(17),7,10,13,15-pentaen-9-one.

Molecular Properties

Compound Name(1Z,2R,4S,13Z,15Z)-6-acetyl-6-azatetracyclo[8.7.0.02,4.02,7]heptadeca-1(17),7,10,13,15-pentaen-9-one
PubChem CID163698338
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(1Z,2R,4S,13Z,15Z)-6-acetyl-6-azatetracyclo[8.7.0.02,4.02,7]heptadeca-1(17),7,10,13,15-pentaen-9-one
SMILESCC(=O)N1C[C@H]2C[C@@]23C1=CC(=O)C1=CC/C=C\C=C/C=C\13
InChIInChI=1S/C18H17NO2/c1-12(20)19-11-13-10-18(13)15-8-6-4-2-3-5-7-14(15)16(21)9-17(18)19/h2-4,6-9,13H,5,10-11H2,1H3/b3-2-,6-4-,14-7?,15-8+/t13-,18-/m1/s1
InChIKeyJYUTYADIHYUBCC-CRMQRRCCSA-N
XLogP2.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1Z,2R,4S,13Z,15Z)-6-acetyl-6-azatetracyclo[8.7.0.02,4.02,7]heptadeca-1(17),7,10,13,15-pentaen-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z,2R,4S,13Z,15Z)-6-acetyl-6-azatetracyclo[8.7.0.02,4.02,7]heptadeca-1(17),7,10,13,15-pentaen-9-one?
The IUPAC name of (1Z,2R,4S,13Z,15Z)-6-acetyl-6-azatetracyclo[8.7.0.02,4.02,7]heptadeca-1(17),7,10,13,15-pentaen-9-one (CID 163698338) is (1Z,2R,4S,13Z,15Z)-6-acetyl-6-azatetracyclo[8.7.0.02,4.02,7]heptadeca-1(17),7,10,13,15-pentaen-9-one.
What is the SMILES notation for (1Z,2R,4S,13Z,15Z)-6-acetyl-6-azatetracyclo[8.7.0.02,4.02,7]heptadeca-1(17),7,10,13,15-pentaen-9-one?
The canonical SMILES for (1Z,2R,4S,13Z,15Z)-6-acetyl-6-azatetracyclo[8.7.0.02,4.02,7]heptadeca-1(17),7,10,13,15-pentaen-9-one is CC(=O)N1C[C@H]2C[C@@]23C1=CC(=O)C1=CC/C=C\C=C/C=C\13.
What is the InChIKey of (1Z,2R,4S,13Z,15Z)-6-acetyl-6-azatetracyclo[8.7.0.02,4.02,7]heptadeca-1(17),7,10,13,15-pentaen-9-one?
The InChIKey is JYUTYADIHYUBCC-CRMQRRCCSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12(20)19-11-13-10-18(13)15-8-6-4-2-3-5-7-14(15)16(21)9-17(18)19/h2-4,6-9,13H,5,10-11H2,1H3/b3-2-,6-4-,14-7?,15-8+/t13-,18-/m1/s1.
What are the key properties of (1Z,2R,4S,13Z,15Z)-6-acetyl-6-azatetracyclo[8.7.0.02,4.02,7]heptadeca-1(17),7,10,13,15-pentaen-9-one?
(1Z,2R,4S,13Z,15Z)-6-acetyl-6-azatetracyclo[8.7.0.02,4.02,7]heptadeca-1(17),7,10,13,15-pentaen-9-one has a molecular weight of 279.34 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,2R,4S,13Z,15Z)-6-acetyl-6-azatetracyclo[8.7.0.02,4.02,7]heptadeca-1(17),7,10,13,15-pentaen-9-one is sourced from PubChem (CID 163698338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).