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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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).