carbazol-3-one

C12H7NO — CID 18980403

IUPACcarbazol-3-one
SMILESO=C1C=CC2=Nc3ccccc3C2=C1
InChIInChI=1S/C12H7NO/c14-8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h1-7H
InChIKeyVHLKRJCSUDZZTF-UHFFFAOYSA-N
MW181.19 g/mol
LogP2.30
Rot. Bonds

About carbazol-3-one

carbazol-3-one (PubChem CID 18980403) has the molecular formula C12H7NO and a molecular weight of 181.19 g/mol. Its IUPAC name is carbazol-3-one.

Molecular Properties

Compound Namecarbazol-3-one
PubChem CID18980403
Molecular FormulaC12H7NO
Molecular Weight181.19 g/mol
Exact Mass181.05
IUPAC Namecarbazol-3-one
SMILESO=C1C=CC2=Nc3ccccc3C2=C1
InChIInChI=1S/C12H7NO/c14-8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h1-7H
InChIKeyVHLKRJCSUDZZTF-UHFFFAOYSA-N
XLogP2.30
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 52.30
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

2h-Dibenzo[b,f]azepin-2-one
CID 276457
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CID 36918
1H-carbazole
CID 9548749
10,11-Dihydro-2h-dibenzo[b,f]azepin-2-one
CID 276456
4aH-carbazole
CID 9548748
Quindolinone
CID 129686415
Indeno[2,1-b]indole
CID 18445982
4-(Phenylimino)-2,5-cyclohexadien-1-one
CID 603052
2,5-Cyclohexadien-1-one, 4-[(4-amino-3-methylphenyl)imino]-
CID 66860
3,3-dimethyl-3,4-dihydroindeno[1,2-b]indol-1(2H)-one
CID 16457388
N-(4-methyl-phenyl)-1,4-benzoquinone imine
CID 11084800
4-(2-Methylphenyl)iminopentan-2-one
CID 14508611

Frequently Asked Questions

What is the IUPAC name of carbazol-3-one?
The IUPAC name of carbazol-3-one (CID 18980403) is carbazol-3-one.
What is the SMILES notation for carbazol-3-one?
The canonical SMILES for carbazol-3-one is O=C1C=CC2=Nc3ccccc3C2=C1.
What is the InChIKey of carbazol-3-one?
The InChIKey is VHLKRJCSUDZZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO/c14-8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h1-7H.
What are the key properties of carbazol-3-one?
carbazol-3-one has a molecular weight of 181.19 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbazol-3-one is sourced from PubChem (CID 18980403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).