(3R)-3-benzyl-4-oxo-2,9-dihydro-1H-carbazole-3-carbonitrile

C20H16N2O — CID 175753562

IUPAC(3R)-3-benzyl-4-oxo-2,9-dihydro-1H-carbazole-3-carbonitrile
SMILESN#C[C@]1(Cc2ccccc2)CCc2[nH]c3ccccc3c2C1=O
InChIInChI=1S/C20H16N2O/c21-13-20(12-14-6-2-1-3-7-14)11-10-17-18(19(20)23)15-8-4-5-9-16(15)22-17/h1-9,22H,10-12H2/t20-/m1/s1
InChIKeyYOLCHTXBMVGCMI-HXUWFJFHSA-N
MW300.36 g/mol
LogP4.05
Rot. Bonds2

About (3R)-3-benzyl-4-oxo-2,9-dihydro-1H-carbazole-3-carbonitrile

(3R)-3-benzyl-4-oxo-2,9-dihydro-1H-carbazole-3-carbonitrile (PubChem CID 175753562) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is (3R)-3-benzyl-4-oxo-2,9-dihydro-1H-carbazole-3-carbonitrile.

Molecular Properties

Compound Name(3R)-3-benzyl-4-oxo-2,9-dihydro-1H-carbazole-3-carbonitrile
PubChem CID175753562
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name(3R)-3-benzyl-4-oxo-2,9-dihydro-1H-carbazole-3-carbonitrile
SMILESN#C[C@]1(Cc2ccccc2)CCc2[nH]c3ccccc3c2C1=O
InChIInChI=1S/C20H16N2O/c21-13-20(12-14-6-2-1-3-7-14)11-10-17-18(19(20)23)15-8-4-5-9-16(15)22-17/h1-9,22H,10-12H2/t20-/m1/s1
InChIKeyYOLCHTXBMVGCMI-HXUWFJFHSA-N
XLogP4.05
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-4-oxo-2,9-dihydro-1H-carbazole-3-carbonitrile?
The IUPAC name of (3R)-3-benzyl-4-oxo-2,9-dihydro-1H-carbazole-3-carbonitrile (CID 175753562) is (3R)-3-benzyl-4-oxo-2,9-dihydro-1H-carbazole-3-carbonitrile.
What is the SMILES notation for (3R)-3-benzyl-4-oxo-2,9-dihydro-1H-carbazole-3-carbonitrile?
The canonical SMILES for (3R)-3-benzyl-4-oxo-2,9-dihydro-1H-carbazole-3-carbonitrile is N#C[C@]1(Cc2ccccc2)CCc2[nH]c3ccccc3c2C1=O.
What is the InChIKey of (3R)-3-benzyl-4-oxo-2,9-dihydro-1H-carbazole-3-carbonitrile?
The InChIKey is YOLCHTXBMVGCMI-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H16N2O/c21-13-20(12-14-6-2-1-3-7-14)11-10-17-18(19(20)23)15-8-4-5-9-16(15)22-17/h1-9,22H,10-12H2/t20-/m1/s1.
What are the key properties of (3R)-3-benzyl-4-oxo-2,9-dihydro-1H-carbazole-3-carbonitrile?
(3R)-3-benzyl-4-oxo-2,9-dihydro-1H-carbazole-3-carbonitrile has a molecular weight of 300.36 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-4-oxo-2,9-dihydro-1H-carbazole-3-carbonitrile is sourced from PubChem (CID 175753562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).