(1R,4R)-4-ethenyl-9-azatricyclo[7.5.0.01,6]tetradeca-2,6,13-trien-8-one

C15H17NO — CID 71492162

IUPAC(1R,4R)-4-ethenyl-9-azatricyclo[7.5.0.01,6]tetradeca-2,6,13-trien-8-one
SMILESC=C[C@@H]1C=C[C@@]23C=CCCCN2C(=O)C=C3C1
InChIInChI=1S/C15H17NO/c1-2-12-6-8-15-7-4-3-5-9-16(15)14(17)11-13(15)10-12/h2,4,6-8,11-12H,1,3,5,9-10H2/t12-,15-/m1/s1
InChIKeyCQBKOOVNTAVAGW-IUODEOHRSA-N
MW227.31 g/mol
LogP2.61
Rot. Bonds1

About (1R,4R)-4-ethenyl-9-azatricyclo[7.5.0.01,6]tetradeca-2,6,13-trien-8-one

(1R,4R)-4-ethenyl-9-azatricyclo[7.5.0.01,6]tetradeca-2,6,13-trien-8-one (PubChem CID 71492162) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (1R,4R)-4-ethenyl-9-azatricyclo[7.5.0.01,6]tetradeca-2,6,13-trien-8-one.

Molecular Properties

Compound Name(1R,4R)-4-ethenyl-9-azatricyclo[7.5.0.01,6]tetradeca-2,6,13-trien-8-one
PubChem CID71492162
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(1R,4R)-4-ethenyl-9-azatricyclo[7.5.0.01,6]tetradeca-2,6,13-trien-8-one
SMILESC=C[C@@H]1C=C[C@@]23C=CCCCN2C(=O)C=C3C1
InChIInChI=1S/C15H17NO/c1-2-12-6-8-15-7-4-3-5-9-16(15)14(17)11-13(15)10-12/h2,4,6-8,11-12H,1,3,5,9-10H2/t12-,15-/m1/s1
InChIKeyCQBKOOVNTAVAGW-IUODEOHRSA-N
XLogP2.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-4-ethenyl-9-azatricyclo[7.5.0.01,6]tetradeca-2,6,13-trien-8-one?
The IUPAC name of (1R,4R)-4-ethenyl-9-azatricyclo[7.5.0.01,6]tetradeca-2,6,13-trien-8-one (CID 71492162) is (1R,4R)-4-ethenyl-9-azatricyclo[7.5.0.01,6]tetradeca-2,6,13-trien-8-one.
What is the SMILES notation for (1R,4R)-4-ethenyl-9-azatricyclo[7.5.0.01,6]tetradeca-2,6,13-trien-8-one?
The canonical SMILES for (1R,4R)-4-ethenyl-9-azatricyclo[7.5.0.01,6]tetradeca-2,6,13-trien-8-one is C=C[C@@H]1C=C[C@@]23C=CCCCN2C(=O)C=C3C1.
What is the InChIKey of (1R,4R)-4-ethenyl-9-azatricyclo[7.5.0.01,6]tetradeca-2,6,13-trien-8-one?
The InChIKey is CQBKOOVNTAVAGW-IUODEOHRSA-N. The full InChI is InChI=1S/C15H17NO/c1-2-12-6-8-15-7-4-3-5-9-16(15)14(17)11-13(15)10-12/h2,4,6-8,11-12H,1,3,5,9-10H2/t12-,15-/m1/s1.
What are the key properties of (1R,4R)-4-ethenyl-9-azatricyclo[7.5.0.01,6]tetradeca-2,6,13-trien-8-one?
(1R,4R)-4-ethenyl-9-azatricyclo[7.5.0.01,6]tetradeca-2,6,13-trien-8-one has a molecular weight of 227.31 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4-ethenyl-9-azatricyclo[7.5.0.01,6]tetradeca-2,6,13-trien-8-one is sourced from PubChem (CID 71492162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).