1-methylcarbazol-4-one

C13H9NO — CID 19969783

IUPAC1-methylcarbazol-4-one
SMILESCC1=C2N=c3ccccc3=C2C(=O)C=C1
InChIInChI=1S/C13H9NO/c1-8-6-7-11(15)12-9-4-2-3-5-10(9)14-13(8)12/h2-7H,1H3
InChIKeyVNHXNDULTGGTII-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.88
Rot. Bonds

About 1-methylcarbazol-4-one

1-methylcarbazol-4-one (PubChem CID 19969783) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-methylcarbazol-4-one.

Molecular Properties

Compound Name1-methylcarbazol-4-one
PubChem CID19969783
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name1-methylcarbazol-4-one
SMILESCC1=C2N=c3ccccc3=C2C(=O)C=C1
InChIInChI=1S/C13H9NO/c1-8-6-7-11(15)12-9-4-2-3-5-10(9)14-13(8)12/h2-7H,1H3
InChIKeyVNHXNDULTGGTII-UHFFFAOYSA-N
XLogP0.88
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Carbazol-4-one
CID 17898003
Carbazol-2-one
CID 18428414
Acridin-7-one
CID 88020659
Indolo[2,3-b]quinolone
CID 88612672
1-Fluorocarbazol-4-one
CID 87892356
4-Fluoro-2-methylindol-5-one
CID 150426769
6h-Indeno[1,2-b]quinolin-6-one
CID 129804637
Indeno[1,2-b]quinoline-8-one
CID 129833635
Indeno[2,1-b]quinolineone
CID 129833724
Carbazole-2,5 (1h,7h)-dione
CID 129836042
Indolo[3,2-c]quinolone
CID 129855097
Dibenzo[b,f]azepinone
CID 129860341

Frequently Asked Questions

What is the IUPAC name of 1-methylcarbazol-4-one?
The IUPAC name of 1-methylcarbazol-4-one (CID 19969783) is 1-methylcarbazol-4-one.
What is the SMILES notation for 1-methylcarbazol-4-one?
The canonical SMILES for 1-methylcarbazol-4-one is CC1=C2N=c3ccccc3=C2C(=O)C=C1.
What is the InChIKey of 1-methylcarbazol-4-one?
The InChIKey is VNHXNDULTGGTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c1-8-6-7-11(15)12-9-4-2-3-5-10(9)14-13(8)12/h2-7H,1H3.
What are the key properties of 1-methylcarbazol-4-one?
1-methylcarbazol-4-one has a molecular weight of 195.22 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcarbazol-4-one is sourced from PubChem (CID 19969783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).