(4bS,8aS)-2-methyl-1-phenyl-4b,8a-dihydrocarbazol-3-one

C19H15NO — CID 11047924

IUPAC(4bS,8aS)-2-methyl-1-phenyl-4b,8a-dihydrocarbazol-3-one
SMILESCC1=C(c2ccccc2)C2=N[C@H]3C=CC=C[C@H]3C2=CC1=O
InChIInChI=1S/C19H15NO/c1-12-17(21)11-15-14-9-5-6-10-16(14)20-19(15)18(12)13-7-3-2-4-8-13/h2-11,14,16H,1H3/t14-,16-/m0/s1
InChIKeyWNVPESFFLSKUMR-HOCLYGCPSA-N
MW273.33 g/mol
LogP3.53
Rot. Bonds1

About (4bS,8aS)-2-methyl-1-phenyl-4b,8a-dihydrocarbazol-3-one

(4bS,8aS)-2-methyl-1-phenyl-4b,8a-dihydrocarbazol-3-one (PubChem CID 11047924) has the molecular formula C19H15NO and a molecular weight of 273.33 g/mol. Its IUPAC name is (4bS,8aS)-2-methyl-1-phenyl-4b,8a-dihydrocarbazol-3-one.

Molecular Properties

Compound Name(4bS,8aS)-2-methyl-1-phenyl-4b,8a-dihydrocarbazol-3-one
PubChem CID11047924
Molecular FormulaC19H15NO
Molecular Weight273.33 g/mol
Exact Mass273.12
IUPAC Name(4bS,8aS)-2-methyl-1-phenyl-4b,8a-dihydrocarbazol-3-one
SMILESCC1=C(c2ccccc2)C2=N[C@H]3C=CC=C[C@H]3C2=CC1=O
InChIInChI=1S/C19H15NO/c1-12-17(21)11-15-14-9-5-6-10-16(14)20-19(15)18(12)13-7-3-2-4-8-13/h2-11,14,16H,1H3/t14-,16-/m0/s1
InChIKeyWNVPESFFLSKUMR-HOCLYGCPSA-N
XLogP3.53
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4bS,8aS)-2-methyl-1-phenyl-4b,8a-dihydrocarbazol-3-one?
The IUPAC name of (4bS,8aS)-2-methyl-1-phenyl-4b,8a-dihydrocarbazol-3-one (CID 11047924) is (4bS,8aS)-2-methyl-1-phenyl-4b,8a-dihydrocarbazol-3-one.
What is the SMILES notation for (4bS,8aS)-2-methyl-1-phenyl-4b,8a-dihydrocarbazol-3-one?
The canonical SMILES for (4bS,8aS)-2-methyl-1-phenyl-4b,8a-dihydrocarbazol-3-one is CC1=C(c2ccccc2)C2=N[C@H]3C=CC=C[C@H]3C2=CC1=O.
What is the InChIKey of (4bS,8aS)-2-methyl-1-phenyl-4b,8a-dihydrocarbazol-3-one?
The InChIKey is WNVPESFFLSKUMR-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H15NO/c1-12-17(21)11-15-14-9-5-6-10-16(14)20-19(15)18(12)13-7-3-2-4-8-13/h2-11,14,16H,1H3/t14-,16-/m0/s1.
What are the key properties of (4bS,8aS)-2-methyl-1-phenyl-4b,8a-dihydrocarbazol-3-one?
(4bS,8aS)-2-methyl-1-phenyl-4b,8a-dihydrocarbazol-3-one has a molecular weight of 273.33 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4bS,8aS)-2-methyl-1-phenyl-4b,8a-dihydrocarbazol-3-one is sourced from PubChem (CID 11047924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).