4b,8a-dihydrocarbazol-3-one

C12H9NO — CID 15182293

IUPAC4b,8a-dihydrocarbazol-3-one
SMILESO=C1C=CC2=NC3C=CC=CC3C2=C1
InChIInChI=1S/C12H9NO/c14-8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h1-7,9,11H
InChIKeyABOBYZANUYFTAY-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.62
Rot. Bonds

About 4b,8a-dihydrocarbazol-3-one

4b,8a-dihydrocarbazol-3-one (PubChem CID 15182293) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 4b,8a-dihydrocarbazol-3-one.

Molecular Properties

Compound Name4b,8a-dihydrocarbazol-3-one
PubChem CID15182293
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name4b,8a-dihydrocarbazol-3-one
SMILESO=C1C=CC2=NC3C=CC=CC3C2=C1
InChIInChI=1S/C12H9NO/c14-8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h1-7,9,11H
InChIKeyABOBYZANUYFTAY-UHFFFAOYSA-N
XLogP1.62
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.62
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

(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
2,3-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
4bH-indeno[1,2-b]indol-3-one
CID 150323797
1-(2H-indol-5-yl)-2-methylpropan-1-one
CID 169821078
1-[(3aS)-2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinolin-8-yl]ethanone
CID 175937172
(4bR,8aR)-1-heptyl-2-methyl-4b,8a-dihydrocarbazol-3-one
CID 10938999

Frequently Asked Questions

What is the IUPAC name of 4b,8a-dihydrocarbazol-3-one?
The IUPAC name of 4b,8a-dihydrocarbazol-3-one (CID 15182293) is 4b,8a-dihydrocarbazol-3-one.
What is the SMILES notation for 4b,8a-dihydrocarbazol-3-one?
The canonical SMILES for 4b,8a-dihydrocarbazol-3-one is O=C1C=CC2=NC3C=CC=CC3C2=C1.
What is the InChIKey of 4b,8a-dihydrocarbazol-3-one?
The InChIKey is ABOBYZANUYFTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c14-8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h1-7,9,11H.
What are the key properties of 4b,8a-dihydrocarbazol-3-one?
4b,8a-dihydrocarbazol-3-one has a molecular weight of 183.21 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4b,8a-dihydrocarbazol-3-one is sourced from PubChem (CID 15182293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).