N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-methylcyclopentene-1-carboxamide

C18H20N2O — CID 127896407

IUPACN-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-methylcyclopentene-1-carboxamide
SMILESCC1=C(C(=O)NC2(C#N)CCc3ccccc3C2)CCC1
InChIInChI=1S/C18H20N2O/c1-13-5-4-8-16(13)17(21)20-18(12-19)10-9-14-6-2-3-7-15(14)11-18/h2-3,6-7H,4-5,8-11H2,1H3,(H,20,21)
InChIKeyFYFSRWKTUQZWTF-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.05
Rot. Bonds2

About N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-methylcyclopentene-1-carboxamide

N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-methylcyclopentene-1-carboxamide (PubChem CID 127896407) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-methylcyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-methylcyclopentene-1-carboxamide
PubChem CID127896407
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-methylcyclopentene-1-carboxamide
SMILESCC1=C(C(=O)NC2(C#N)CCc3ccccc3C2)CCC1
InChIInChI=1S/C18H20N2O/c1-13-5-4-8-16(13)17(21)20-18(12-19)10-9-14-6-2-3-7-15(14)11-18/h2-3,6-7H,4-5,8-11H2,1H3,(H,20,21)
InChIKeyFYFSRWKTUQZWTF-UHFFFAOYSA-N
XLogP3.05
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-(dimethylamino)pyridine-2-carboxamide
CID 99831684
N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-methylpentanamide
CID 124617078
2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 10375184
N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124617084
(2S)-N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 124617051
N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-5-ethyl-4-nitro-1H-pyrazole-3-carboxamide
CID 119049731
2-(cycloheptylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 60997796
tert-butyl N-(2-cyano-1,3-dihydroinden-2-yl)carbamate
CID 164650703
N-(1-cyanocyclopropyl)pyridine-2-carboxamide
CID 160579083
N-(1-cyanocyclopentyl)-6-methylpyridine-2-carboxamide
CID 60727656
N-(1-cyanocyclopentyl)-3-methylpyridine-2-carboxamide
CID 55059760
(2S)-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 95566858

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-methylcyclopentene-1-carboxamide?
The IUPAC name of N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-methylcyclopentene-1-carboxamide (CID 127896407) is N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-methylcyclopentene-1-carboxamide.
What is the SMILES notation for N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-methylcyclopentene-1-carboxamide?
The canonical SMILES for N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-methylcyclopentene-1-carboxamide is CC1=C(C(=O)NC2(C#N)CCc3ccccc3C2)CCC1.
What is the InChIKey of N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-methylcyclopentene-1-carboxamide?
The InChIKey is FYFSRWKTUQZWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-5-4-8-16(13)17(21)20-18(12-19)10-9-14-6-2-3-7-15(14)11-18/h2-3,6-7H,4-5,8-11H2,1H3,(H,20,21).
What are the key properties of N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-methylcyclopentene-1-carboxamide?
N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-methylcyclopentene-1-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-methylcyclopentene-1-carboxamide is sourced from PubChem (CID 127896407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).