4-cyano-N-methylidenebenzenecarboximidamide

C9H7N3 — CID 135264815

IUPAC4-cyano-N-methylidenebenzenecarboximidamide
SMILES[H]/N=C(\N=C)c1ccc(C#N)cc1
InChIInChI=1S/C9H7N3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5,11H,1H2/b11-9-
InChIKeyPAWJQNCFBXUTON-LUAWRHEFSA-N
MW157.18 g/mol
LogP1.58
Rot. Bonds1

About 4-cyano-N-methylidenebenzenecarboximidamide

4-cyano-N-methylidenebenzenecarboximidamide (PubChem CID 135264815) has the molecular formula C9H7N3 and a molecular weight of 157.18 g/mol. Its IUPAC name is 4-cyano-N-methylidenebenzenecarboximidamide.

Molecular Properties

Compound Name4-cyano-N-methylidenebenzenecarboximidamide
PubChem CID135264815
Molecular FormulaC9H7N3
Molecular Weight157.18 g/mol
Exact Mass157.06
IUPAC Name4-cyano-N-methylidenebenzenecarboximidamide
SMILES[H]/N=C(\N=C)c1ccc(C#N)cc1
InChIInChI=1S/C9H7N3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5,11H,1H2/b11-9-
InChIKeyPAWJQNCFBXUTON-LUAWRHEFSA-N
XLogP1.58
TPSA60.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

azane;benzene-1,4-dicarbonitrile
CID 174336566
4-(4-ethanimidoylphenoxy)benzonitrile
CID 167189473
4-[1,2-dichloro-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 139674424
4-[5-(4-cyanophenyl)hexa-1,5-dien-2-yl]benzonitrile
CID 122403774
2-(4-cyanophenyl)ethene-1,1,2-tricarbonitrile
CID 121012832
4-(1-phenylethenyl)benzonitrile
CID 11977035
4-[(E)-C-cyano-N-hydroxycarbonimidoyl]benzonitrile
CID 88662999
1-(4-cyanophenyl)ethylideneoxidanium
CID 139244492
N'-(4-cyanophenyl)-4-methylbenzenecarboximidamide
CID 12966223
4-[(E)-1-cyano-2-hydroxyprop-1-enyl]benzonitrile
CID 12869389
4-[1-(4-chlorophenyl)ethenyl]benzonitrile
CID 54481297
4-(3-bromoprop-1-en-2-yl)benzonitrile
CID 130210199

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-methylidenebenzenecarboximidamide?
The IUPAC name of 4-cyano-N-methylidenebenzenecarboximidamide (CID 135264815) is 4-cyano-N-methylidenebenzenecarboximidamide.
What is the SMILES notation for 4-cyano-N-methylidenebenzenecarboximidamide?
The canonical SMILES for 4-cyano-N-methylidenebenzenecarboximidamide is [H]/N=C(\N=C)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-methylidenebenzenecarboximidamide?
The InChIKey is PAWJQNCFBXUTON-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H7N3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5,11H,1H2/b11-9-.
What are the key properties of 4-cyano-N-methylidenebenzenecarboximidamide?
4-cyano-N-methylidenebenzenecarboximidamide has a molecular weight of 157.18 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-methylidenebenzenecarboximidamide is sourced from PubChem (CID 135264815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).