(1R,10S)-11-benzyl-11-azatricyclo[8.2.2.02,9]tetradeca-2(9),13-dien-12-one

C20H23NO — CID 10990036

IUPAC(1R,10S)-11-benzyl-11-azatricyclo[8.2.2.02,9]tetradeca-2(9),13-dien-12-one
SMILESO=C1[C@@H]2C=C[C@@H](C3=C2CCCCCC3)N1Cc1ccccc1
InChIInChI=1S/C20H23NO/c22-20-18-12-13-19(17-11-7-2-1-6-10-16(17)18)21(20)14-15-8-4-3-5-9-15/h3-5,8-9,12-13,18-19H,1-2,6-7,10-11,14H2/t18-,19+/m1/s1
InChIKeyCJWAAJRYDGUREK-MOPGFXCFSA-N
MW293.41 g/mol
LogP4.23
Rot. Bonds2

About (1R,10S)-11-benzyl-11-azatricyclo[8.2.2.02,9]tetradeca-2(9),13-dien-12-one

(1R,10S)-11-benzyl-11-azatricyclo[8.2.2.02,9]tetradeca-2(9),13-dien-12-one (PubChem CID 10990036) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (1R,10S)-11-benzyl-11-azatricyclo[8.2.2.02,9]tetradeca-2(9),13-dien-12-one.

Molecular Properties

Compound Name(1R,10S)-11-benzyl-11-azatricyclo[8.2.2.02,9]tetradeca-2(9),13-dien-12-one
PubChem CID10990036
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(1R,10S)-11-benzyl-11-azatricyclo[8.2.2.02,9]tetradeca-2(9),13-dien-12-one
SMILESO=C1[C@@H]2C=C[C@@H](C3=C2CCCCCC3)N1Cc1ccccc1
InChIInChI=1S/C20H23NO/c22-20-18-12-13-19(17-11-7-2-1-6-10-16(17)18)21(20)14-15-8-4-3-5-9-15/h3-5,8-9,12-13,18-19H,1-2,6-7,10-11,14H2/t18-,19+/m1/s1
InChIKeyCJWAAJRYDGUREK-MOPGFXCFSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,10S)-11-benzyl-11-azatricyclo[8.2.2.02,9]tetradeca-2(9),13-dien-12-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,10S)-11-benzyl-11-azatricyclo[8.2.2.02,9]tetradeca-2(9),13-dien-12-one?
The IUPAC name of (1R,10S)-11-benzyl-11-azatricyclo[8.2.2.02,9]tetradeca-2(9),13-dien-12-one (CID 10990036) is (1R,10S)-11-benzyl-11-azatricyclo[8.2.2.02,9]tetradeca-2(9),13-dien-12-one.
What is the SMILES notation for (1R,10S)-11-benzyl-11-azatricyclo[8.2.2.02,9]tetradeca-2(9),13-dien-12-one?
The canonical SMILES for (1R,10S)-11-benzyl-11-azatricyclo[8.2.2.02,9]tetradeca-2(9),13-dien-12-one is O=C1[C@@H]2C=C[C@@H](C3=C2CCCCCC3)N1Cc1ccccc1.
What is the InChIKey of (1R,10S)-11-benzyl-11-azatricyclo[8.2.2.02,9]tetradeca-2(9),13-dien-12-one?
The InChIKey is CJWAAJRYDGUREK-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H23NO/c22-20-18-12-13-19(17-11-7-2-1-6-10-16(17)18)21(20)14-15-8-4-3-5-9-15/h3-5,8-9,12-13,18-19H,1-2,6-7,10-11,14H2/t18-,19+/m1/s1.
What are the key properties of (1R,10S)-11-benzyl-11-azatricyclo[8.2.2.02,9]tetradeca-2(9),13-dien-12-one?
(1R,10S)-11-benzyl-11-azatricyclo[8.2.2.02,9]tetradeca-2(9),13-dien-12-one has a molecular weight of 293.41 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10S)-11-benzyl-11-azatricyclo[8.2.2.02,9]tetradeca-2(9),13-dien-12-one is sourced from PubChem (CID 10990036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).