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

C15H15NO — CID 135047962

IUPAC(4bS,8aS)-1,2,4-trimethyl-4b,8a-dihydrocarbazol-3-one
SMILESCC1=C(C)C2=N[C@H]3C=CC=C[C@H]3C2=C(C)C1=O
InChIInChI=1S/C15H15NO/c1-8-9(2)15(17)10(3)13-11-6-4-5-7-12(11)16-14(8)13/h4-7,11-12H,1-3H3/t11-,12+/m1/s1
InChIKeyFOCXNNSBAAWXNB-NEPJUHHUSA-N
MW225.29 g/mol
LogP2.79
Rot. Bonds

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

(4bS,8aS)-1,2,4-trimethyl-4b,8a-dihydrocarbazol-3-one (PubChem CID 135047962) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is (4bS,8aS)-1,2,4-trimethyl-4b,8a-dihydrocarbazol-3-one.

Molecular Properties

Compound Name(4bS,8aS)-1,2,4-trimethyl-4b,8a-dihydrocarbazol-3-one
PubChem CID135047962
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name(4bS,8aS)-1,2,4-trimethyl-4b,8a-dihydrocarbazol-3-one
SMILESCC1=C(C)C2=N[C@H]3C=CC=C[C@H]3C2=C(C)C1=O
InChIInChI=1S/C15H15NO/c1-8-9(2)15(17)10(3)13-11-6-4-5-7-12(11)16-14(8)13/h4-7,11-12H,1-3H3/t11-,12+/m1/s1
InChIKeyFOCXNNSBAAWXNB-NEPJUHHUSA-N
XLogP2.79
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.79
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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Related Compounds

(4bR,8aR)-1-heptyl-2-methyl-4b,8a-dihydrocarbazol-3-one;carbon monoxide;iron
CID 10938998
4b,8a-Dihydro-carbazole-3-one
CID 15182293
(4bS,8aS)-2-methyl-4b,8a-dihydrocarbazol-3-one;carbon monoxide;iron
CID 135047933
(4bS,8aS)-1,2,4-trimethyl-4b,8a-dihydrocarbazol-3-one;carbon monoxide;iron
CID 135047961
2,6-dimethyl-4a,8a-dihydro-3H-quinolin-4-one
CID 145924399
2,3-dimethyl-3,6-dihydro-2H-indol-6-id-5-one;yttrium
CID 59758692
10a,11-dihydro-5aH-benzo[b]acridin-4-one
CID 90977563
1-(2H-indol-3-yl)-2-methylpropan-1-one
CID 125301746
5-methyl-4-[(7-methyl-4,9a-dihydro-3H-pyrido[3,4-b]indol-1-yl)methyl]-2-propan-2-ylcyclohexa-2,5-dien-1-one
CID 146175595
(4Z)-5-methyl-4-[(7-methyl-4,9a-dihydro-3H-pyrido[3,4-b]indol-1-yl)methylidene]-2-propan-2-ylcyclohexa-2,5-dien-1-one
CID 146175601
(4Z)-2-methyl-4-[(7-methyl-4,9a-dihydro-3H-pyrido[3,4-b]indol-1-yl)methylidene]-5-propan-2-ylcyclohexa-2,5-dien-1-one
CID 146175627
1-(2H-indol-5-yl)-2-methylpropan-1-one
CID 169821078

Frequently Asked Questions

What is the IUPAC name of (4bS,8aS)-1,2,4-trimethyl-4b,8a-dihydrocarbazol-3-one?
The IUPAC name of (4bS,8aS)-1,2,4-trimethyl-4b,8a-dihydrocarbazol-3-one (CID 135047962) is (4bS,8aS)-1,2,4-trimethyl-4b,8a-dihydrocarbazol-3-one.
What is the SMILES notation for (4bS,8aS)-1,2,4-trimethyl-4b,8a-dihydrocarbazol-3-one?
The canonical SMILES for (4bS,8aS)-1,2,4-trimethyl-4b,8a-dihydrocarbazol-3-one is CC1=C(C)C2=N[C@H]3C=CC=C[C@H]3C2=C(C)C1=O.
What is the InChIKey of (4bS,8aS)-1,2,4-trimethyl-4b,8a-dihydrocarbazol-3-one?
The InChIKey is FOCXNNSBAAWXNB-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H15NO/c1-8-9(2)15(17)10(3)13-11-6-4-5-7-12(11)16-14(8)13/h4-7,11-12H,1-3H3/t11-,12+/m1/s1.
What are the key properties of (4bS,8aS)-1,2,4-trimethyl-4b,8a-dihydrocarbazol-3-one?
(4bS,8aS)-1,2,4-trimethyl-4b,8a-dihydrocarbazol-3-one has a molecular weight of 225.29 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4bS,8aS)-1,2,4-trimethyl-4b,8a-dihydrocarbazol-3-one is sourced from PubChem (CID 135047962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).