11-oxo-5,6-dihydrobenzo[b]carbazole-3-carbonitrile

C17H10N2O — CID 90238920

IUPAC11-oxo-5,6-dihydrobenzo[b]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c3c([nH]c2c1)Cc1ccccc1C3=O
InChIInChI=1S/C17H10N2O/c18-9-10-5-6-13-14(7-10)19-15-8-11-3-1-2-4-12(11)17(20)16(13)15/h1-7,19H,8H2
InChIKeyDGRAFQRWVAKEQF-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.17
Rot. Bonds

About 11-oxo-5,6-dihydrobenzo[b]carbazole-3-carbonitrile

11-oxo-5,6-dihydrobenzo[b]carbazole-3-carbonitrile (PubChem CID 90238920) has the molecular formula C17H10N2O and a molecular weight of 258.28 g/mol. Its IUPAC name is 11-oxo-5,6-dihydrobenzo[b]carbazole-3-carbonitrile.

Molecular Properties

Compound Name11-oxo-5,6-dihydrobenzo[b]carbazole-3-carbonitrile
PubChem CID90238920
Molecular FormulaC17H10N2O
Molecular Weight258.28 g/mol
Exact Mass258.08
IUPAC Name11-oxo-5,6-dihydrobenzo[b]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c3c([nH]c2c1)Cc1ccccc1C3=O
InChIInChI=1S/C17H10N2O/c18-9-10-5-6-13-14(7-10)19-15-8-11-3-1-2-4-12(11)17(20)16(13)15/h1-7,19H,8H2
InChIKeyDGRAFQRWVAKEQF-UHFFFAOYSA-N
XLogP3.17
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-oxo-5,6-dihydrobenzo[b]carbazole-3-carbonitrile?
The IUPAC name of 11-oxo-5,6-dihydrobenzo[b]carbazole-3-carbonitrile (CID 90238920) is 11-oxo-5,6-dihydrobenzo[b]carbazole-3-carbonitrile.
What is the SMILES notation for 11-oxo-5,6-dihydrobenzo[b]carbazole-3-carbonitrile?
The canonical SMILES for 11-oxo-5,6-dihydrobenzo[b]carbazole-3-carbonitrile is N#Cc1ccc2c3c([nH]c2c1)Cc1ccccc1C3=O.
What is the InChIKey of 11-oxo-5,6-dihydrobenzo[b]carbazole-3-carbonitrile?
The InChIKey is DGRAFQRWVAKEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O/c18-9-10-5-6-13-14(7-10)19-15-8-11-3-1-2-4-12(11)17(20)16(13)15/h1-7,19H,8H2.
What are the key properties of 11-oxo-5,6-dihydrobenzo[b]carbazole-3-carbonitrile?
11-oxo-5,6-dihydrobenzo[b]carbazole-3-carbonitrile has a molecular weight of 258.28 g/mol, XLogP of 3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxo-5,6-dihydrobenzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 90238920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).