2-cyano-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide

C14H11N3O — CID 6048140

IUPAC2-cyano-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
SMILESN#CCC(=O)N/N=C\c1ccc2ccccc2c1
InChIInChI=1S/C14H11N3O/c15-8-7-14(18)17-16-10-11-5-6-12-3-1-2-4-13(12)9-11/h1-6,9-10H,7H2,(H,17,18)/b16-10-
InChIKeyDIEQRSPGGOYRRY-YBEGLDIGSA-N
MW237.26 g/mol
LogP2.20
Rot. Bonds3

About 2-cyano-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide

2-cyano-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide (PubChem CID 6048140) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-cyano-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
PubChem CID6048140
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name2-cyano-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
SMILESN#CCC(=O)N/N=C\c1ccc2ccccc2c1
InChIInChI=1S/C14H11N3O/c15-8-7-14(18)17-16-10-11-5-6-12-3-1-2-4-13(12)9-11/h1-6,9-10H,7H2,(H,17,18)/b16-10-
InChIKeyDIEQRSPGGOYRRY-YBEGLDIGSA-N
XLogP2.20
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(naphthalen-2-ylmethylideneamino)pentanediamide
CID 2250679
7-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-7-oxoheptanoic acid
CID 23778466
2-cyano-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 2806400
methyl N-(naphthalen-2-ylmethylideneamino)carbamate
CID 909426
2-(4-methylphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 5401746
ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate
CID 5401750
N-[(E)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 6896409
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 5414565
2-(2-ethoxyphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 7334062
N-[(E)-(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 6883998
2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 3955883
2-hydroxy-2-methyl-N-[(E)-naphthalen-2-ylmethylideneamino]propanamide
CID 25237720

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide (CID 6048140) is 2-cyano-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide is N#CCC(=O)N/N=C\c1ccc2ccccc2c1.
What is the InChIKey of 2-cyano-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide?
The InChIKey is DIEQRSPGGOYRRY-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H11N3O/c15-8-7-14(18)17-16-10-11-5-6-12-3-1-2-4-13(12)9-11/h1-6,9-10H,7H2,(H,17,18)/b16-10-.
What are the key properties of 2-cyano-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide?
2-cyano-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide has a molecular weight of 237.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 6048140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).