N-(benzylideneamino)-2-cyanoacetamide

C10H9N3O — CID 21077

IUPACN-(benzylideneamino)-2-cyanoacetamide
SMILESN#CCC(=O)NN=Cc1ccccc1
InChIInChI=1S/C10H9N3O/c11-7-6-10(14)13-12-8-9-4-2-1-3-5-9/h1-5,8H,6H2,(H,13,14)
InChIKeyINMVSZQSMSATPX-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.05
Rot. Bonds3

About N-(benzylideneamino)-2-cyanoacetamide

N-(benzylideneamino)-2-cyanoacetamide (PubChem CID 21077) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is N-(benzylideneamino)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(benzylideneamino)-2-cyanoacetamide
PubChem CID21077
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC NameN-(benzylideneamino)-2-cyanoacetamide
SMILESN#CCC(=O)NN=Cc1ccccc1
InChIInChI=1S/C10H9N3O/c11-7-6-10(14)13-12-8-9-4-2-1-3-5-9/h1-5,8H,6H2,(H,13,14)
InChIKeyINMVSZQSMSATPX-UHFFFAOYSA-N
XLogP1.05
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.05
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

Ethanedioic acid, 1,2-bis[2-(phenylmethylene)hydrazide]
CID 6861531
Benzaldehyde semicarbazone
CID 6861419
N-[(E)-(4-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 6899042
Acetic acid, cyano-, (phenylmethylene)hydrazide, (E)-
CID 6869220
5-Phenylpyridazin-3(2H)-one
CID 12864815
Ethanedioic acid, bis((phenylmethylene)hydrazide)
CID 96146
N'-benzylidene-3-methylenecyclobutanecarbohydrazide
CID 6876974
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]cyclopropanecarboxamide
CID 6902483
2-cyano-3-(dimethylamino)-N'-(phenylmethylene)acrylohydrazide
CID 9637774
N'-[(E)-(2-chlorophenyl)methylidene]-2-cyanoacetohydrazide
CID 6883998
N-[(E)-benzylideneamino]acetamide
CID 6871296
N'-Benzylidenehexadecanohydrazide
CID 45054744

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-2-cyanoacetamide?
The IUPAC name of N-(benzylideneamino)-2-cyanoacetamide (CID 21077) is N-(benzylideneamino)-2-cyanoacetamide.
What is the SMILES notation for N-(benzylideneamino)-2-cyanoacetamide?
The canonical SMILES for N-(benzylideneamino)-2-cyanoacetamide is N#CCC(=O)NN=Cc1ccccc1.
What is the InChIKey of N-(benzylideneamino)-2-cyanoacetamide?
The InChIKey is INMVSZQSMSATPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-7-6-10(14)13-12-8-9-4-2-1-3-5-9/h1-5,8H,6H2,(H,13,14).
What are the key properties of N-(benzylideneamino)-2-cyanoacetamide?
N-(benzylideneamino)-2-cyanoacetamide has a molecular weight of 187.20 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-2-cyanoacetamide is sourced from PubChem (CID 21077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).