4-(3-aminoprop-2-enylideneamino)benzonitrile

C10H9N3 — CID 163755854

IUPAC4-(3-aminoprop-2-enylideneamino)benzonitrile
SMILESN#Cc1ccc(/N=C/C=CN)cc1
InChIInChI=1S/C10H9N3/c11-6-1-7-13-10-4-2-9(8-12)3-5-10/h1-7H,11H2/b6-1?,13-7+
InChIKeyMURJWGDOCJDABR-FOTRYEKQSA-N
MW171.20 g/mol
LogP1.73
Rot. Bonds2

About 4-(3-aminoprop-2-enylideneamino)benzonitrile

4-(3-aminoprop-2-enylideneamino)benzonitrile (PubChem CID 163755854) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-(3-aminoprop-2-enylideneamino)benzonitrile.

Molecular Properties

Compound Name4-(3-aminoprop-2-enylideneamino)benzonitrile
PubChem CID163755854
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name4-(3-aminoprop-2-enylideneamino)benzonitrile
SMILESN#Cc1ccc(/N=C/C=CN)cc1
InChIInChI=1S/C10H9N3/c11-6-1-7-13-10-4-2-9(8-12)3-5-10/h1-7H,11H2/b6-1?,13-7+
InChIKeyMURJWGDOCJDABR-FOTRYEKQSA-N
XLogP1.73
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]benzonitrile
CID 71626902
N'-(4-cyanophenyl)-N-hydroxymethanimidamide
CID 20763402
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[(4-ethylphenyl)iminomethyl]benzonitrile
CID 23167748
4-amino(13C)benzonitrile
CID 10080388
4-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]benzonitrile
CID 139780621
4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzonitrile
CID 135657361
4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270
4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]benzonitrile
CID 168912777
4-(1-aminoethyl)benzonitrile
CID 11544790
4-[4-[8-[4-[[4-[8-[4-[[4-[8-[4-(4-cyanophenyl)phenoxy]octoxy]phenyl]methylideneamino]phenoxy]octoxy]phenyl]iminomethyl]phenoxy]octoxy]phenyl]benzonitrile
CID 100997509
azanide;pyridine-4-carbonitrile;bis(ruthenium(5+))
CID 22982392

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-2-enylideneamino)benzonitrile?
The IUPAC name of 4-(3-aminoprop-2-enylideneamino)benzonitrile (CID 163755854) is 4-(3-aminoprop-2-enylideneamino)benzonitrile.
What is the SMILES notation for 4-(3-aminoprop-2-enylideneamino)benzonitrile?
The canonical SMILES for 4-(3-aminoprop-2-enylideneamino)benzonitrile is N#Cc1ccc(/N=C/C=CN)cc1.
What is the InChIKey of 4-(3-aminoprop-2-enylideneamino)benzonitrile?
The InChIKey is MURJWGDOCJDABR-FOTRYEKQSA-N. The full InChI is InChI=1S/C10H9N3/c11-6-1-7-13-10-4-2-9(8-12)3-5-10/h1-7H,11H2/b6-1?,13-7+.
What are the key properties of 4-(3-aminoprop-2-enylideneamino)benzonitrile?
4-(3-aminoprop-2-enylideneamino)benzonitrile has a molecular weight of 171.20 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-2-enylideneamino)benzonitrile is sourced from PubChem (CID 163755854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).