2-cyano-2-cyclopentylidene-N-naphthalen-1-ylacetamide

C18H16N2O — CID 878832

IUPAC2-cyano-2-cyclopentylidene-N-naphthalen-1-ylacetamide
SMILESN#CC(C(=O)Nc1cccc2ccccc12)=C1CCCC1
InChIInChI=1S/C18H16N2O/c19-12-16(14-7-1-2-8-14)18(21)20-17-11-5-9-13-6-3-4-10-15(13)17/h3-6,9-11H,1-2,7-8H2,(H,20,21)
InChIKeyZAAFLNDUZIXSLW-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.17
Rot. Bonds2

About 2-cyano-2-cyclopentylidene-N-naphthalen-1-ylacetamide

2-cyano-2-cyclopentylidene-N-naphthalen-1-ylacetamide (PubChem CID 878832) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-cyano-2-cyclopentylidene-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-cyano-2-cyclopentylidene-N-naphthalen-1-ylacetamide
PubChem CID878832
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-cyano-2-cyclopentylidene-N-naphthalen-1-ylacetamide
SMILESN#CC(C(=O)Nc1cccc2ccccc12)=C1CCCC1
InChIInChI=1S/C18H16N2O/c19-12-16(14-7-1-2-8-14)18(21)20-17-11-5-9-13-6-3-4-10-15(13)17/h3-6,9-11H,1-2,7-8H2,(H,20,21)
InChIKeyZAAFLNDUZIXSLW-UHFFFAOYSA-N
XLogP4.17
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-cyclopentylidene-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-cyano-2-cyclopentylidene-N-naphthalen-1-ylacetamide (CID 878832) is 2-cyano-2-cyclopentylidene-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-cyano-2-cyclopentylidene-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-cyano-2-cyclopentylidene-N-naphthalen-1-ylacetamide is N#CC(C(=O)Nc1cccc2ccccc12)=C1CCCC1.
What is the InChIKey of 2-cyano-2-cyclopentylidene-N-naphthalen-1-ylacetamide?
The InChIKey is ZAAFLNDUZIXSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c19-12-16(14-7-1-2-8-14)18(21)20-17-11-5-9-13-6-3-4-10-15(13)17/h3-6,9-11H,1-2,7-8H2,(H,20,21).
What are the key properties of 2-cyano-2-cyclopentylidene-N-naphthalen-1-ylacetamide?
2-cyano-2-cyclopentylidene-N-naphthalen-1-ylacetamide has a molecular weight of 276.34 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-cyclopentylidene-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 878832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).