2-methyl-5-naphthalen-2-yl-3,4-dihydro-2H-pyrrole-3-carbonitrile

C16H14N2 — CID 171976234

IUPAC2-methyl-5-naphthalen-2-yl-3,4-dihydro-2H-pyrrole-3-carbonitrile
SMILESCC1N=C(c2ccc3ccccc3c2)CC1C#N
InChIInChI=1S/C16H14N2/c1-11-15(10-17)9-16(18-11)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,11,15H,9H2,1H3
InChIKeyZCHUYFALBGFKFZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.56
Rot. Bonds1

About 2-methyl-5-naphthalen-2-yl-3,4-dihydro-2H-pyrrole-3-carbonitrile

2-methyl-5-naphthalen-2-yl-3,4-dihydro-2H-pyrrole-3-carbonitrile (PubChem CID 171976234) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-methyl-5-naphthalen-2-yl-3,4-dihydro-2H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-naphthalen-2-yl-3,4-dihydro-2H-pyrrole-3-carbonitrile
PubChem CID171976234
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name2-methyl-5-naphthalen-2-yl-3,4-dihydro-2H-pyrrole-3-carbonitrile
SMILESCC1N=C(c2ccc3ccccc3c2)CC1C#N
InChIInChI=1S/C16H14N2/c1-11-15(10-17)9-16(18-11)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,11,15H,9H2,1H3
InChIKeyZCHUYFALBGFKFZ-UHFFFAOYSA-N
XLogP3.56
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-5-naphthalen-2-yl-3,4-dihydro-2H-pyrrole
CID 101496554
5-methyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
CID 23643899
3-(dichloromethyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole
CID 101353548
2-amino-4-(4-methylpiperidin-1-yl)-6-naphthalen-2-ylpyridine-3-carbonitrile
CID 11824071
(2R)-1,2-dimethyl-3-naphthalen-2-yl-2,5-dihydropyrrole
CID 11241558
5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazole-2-carbaldehyde
CID 3453890
(3R)-3-(4-methoxyphenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole
CID 6925478
2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-dinaphthalen-2-ylpyrimidine
CID 137433549
4,5-dinaphthalen-2-ylbenzene-1,2-dicarbonitrile
CID 135379494
(5S)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
CID 71561705
4-methyl-N-(3-naphthalen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzenesulfonamide
CID 166063622
2-(3-bromo-5-methylcyclohexa-1,3-dien-1-yl)naphthalene
CID 90231486

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-naphthalen-2-yl-3,4-dihydro-2H-pyrrole-3-carbonitrile?
The IUPAC name of 2-methyl-5-naphthalen-2-yl-3,4-dihydro-2H-pyrrole-3-carbonitrile (CID 171976234) is 2-methyl-5-naphthalen-2-yl-3,4-dihydro-2H-pyrrole-3-carbonitrile.
What is the SMILES notation for 2-methyl-5-naphthalen-2-yl-3,4-dihydro-2H-pyrrole-3-carbonitrile?
The canonical SMILES for 2-methyl-5-naphthalen-2-yl-3,4-dihydro-2H-pyrrole-3-carbonitrile is CC1N=C(c2ccc3ccccc3c2)CC1C#N.
What is the InChIKey of 2-methyl-5-naphthalen-2-yl-3,4-dihydro-2H-pyrrole-3-carbonitrile?
The InChIKey is ZCHUYFALBGFKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-11-15(10-17)9-16(18-11)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,11,15H,9H2,1H3.
What are the key properties of 2-methyl-5-naphthalen-2-yl-3,4-dihydro-2H-pyrrole-3-carbonitrile?
2-methyl-5-naphthalen-2-yl-3,4-dihydro-2H-pyrrole-3-carbonitrile has a molecular weight of 234.30 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-naphthalen-2-yl-3,4-dihydro-2H-pyrrole-3-carbonitrile is sourced from PubChem (CID 171976234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).