2-[(2-ethenylanilino)methylidene]propanedinitrile

C12H9N3 — CID 168542247

IUPAC2-[(2-ethenylanilino)methylidene]propanedinitrile
SMILESC=Cc1ccccc1NC=C(C#N)C#N
InChIInChI=1S/C12H9N3/c1-2-11-5-3-4-6-12(11)15-9-10(7-13)8-14/h2-6,9,15H,1H2
InChIKeyFWBZXKFAGCELOV-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.67
Rot. Bonds3

About 2-[(2-ethenylanilino)methylidene]propanedinitrile

2-[(2-ethenylanilino)methylidene]propanedinitrile (PubChem CID 168542247) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[(2-ethenylanilino)methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2-ethenylanilino)methylidene]propanedinitrile
PubChem CID168542247
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name2-[(2-ethenylanilino)methylidene]propanedinitrile
SMILESC=Cc1ccccc1NC=C(C#N)C#N
InChIInChI=1S/C12H9N3/c1-2-11-5-3-4-6-12(11)15-9-10(7-13)8-14/h2-6,9,15H,1H2
InChIKeyFWBZXKFAGCELOV-UHFFFAOYSA-N
XLogP2.67
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-bromoanilino)methylidene]propanedinitrile
CID 17134938
2-[(2-ethenylphenyl)hydrazinylidene]propanedinitrile
CID 169338563
2-[[2-(1-hydroxyethyl)anilino]methylidene]propanedinitrile
CID 168541764
2-[[2-(cyclopropylmethylamino)anilino]methylidene]propanedinitrile
CID 168544399
2-[[2-(trifluoromethoxy)anilino]methylidene]propanedinitrile
CID 27296814
2-[[(4-hydroxynaphthalen-1-yl)amino]methylidene]propanedinitrile
CID 168541805
2-[[2-(1,3-dioxolan-2-yl)anilino]methylidene]propanedinitrile
CID 168542368
2-[[(9,10-dioxoanthracen-1-yl)amino]methylidene]propanedinitrile
CID 4530845
2-[(3-chloro-2-fluoroanilino)methylidene]propanedinitrile
CID 168511616
2-[[2-(methoxymethoxy)anilino]methylidene]propanedinitrile
CID 168542135
2-[(3-fluoro-2-hydroxy-4-iodoanilino)methylidene]propanedinitrile
CID 168545094
2-[[2-(4-methoxyphenoxy)anilino]methylidene]propanedinitrile
CID 168542179

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethenylanilino)methylidene]propanedinitrile?
The IUPAC name of 2-[(2-ethenylanilino)methylidene]propanedinitrile (CID 168542247) is 2-[(2-ethenylanilino)methylidene]propanedinitrile.
What is the SMILES notation for 2-[(2-ethenylanilino)methylidene]propanedinitrile?
The canonical SMILES for 2-[(2-ethenylanilino)methylidene]propanedinitrile is C=Cc1ccccc1NC=C(C#N)C#N.
What is the InChIKey of 2-[(2-ethenylanilino)methylidene]propanedinitrile?
The InChIKey is FWBZXKFAGCELOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c1-2-11-5-3-4-6-12(11)15-9-10(7-13)8-14/h2-6,9,15H,1H2.
What are the key properties of 2-[(2-ethenylanilino)methylidene]propanedinitrile?
2-[(2-ethenylanilino)methylidene]propanedinitrile has a molecular weight of 195.22 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethenylanilino)methylidene]propanedinitrile is sourced from PubChem (CID 168542247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).