2-[[(Z)-4-aminobut-3-en-2-ylidene]amino]acetonitrile

C6H9N3 — CID 59932316

IUPAC2-[[(Z)-4-aminobut-3-en-2-ylidene]amino]acetonitrile
SMILESCC(/C=C\N)=N\CC#N
InChIInChI=1S/C6H9N3/c1-6(2-3-7)9-5-4-8/h2-3H,5,7H2,1H3/b3-2-,9-6+
InChIKeyHODJXPUPLDUSRO-NRNOEJAFSA-N
MW123.16 g/mol
LogP0.44
Rot. Bonds2

About 2-[[(Z)-4-aminobut-3-en-2-ylidene]amino]acetonitrile

2-[[(Z)-4-aminobut-3-en-2-ylidene]amino]acetonitrile (PubChem CID 59932316) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 2-[[(Z)-4-aminobut-3-en-2-ylidene]amino]acetonitrile.

Molecular Properties

Compound Name2-[[(Z)-4-aminobut-3-en-2-ylidene]amino]acetonitrile
PubChem CID59932316
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name2-[[(Z)-4-aminobut-3-en-2-ylidene]amino]acetonitrile
SMILESCC(/C=C\N)=N\CC#N
InChIInChI=1S/C6H9N3/c1-6(2-3-7)9-5-4-8/h2-3H,5,7H2,1H3/b3-2-,9-6+
InChIKeyHODJXPUPLDUSRO-NRNOEJAFSA-N
XLogP0.44
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;(Z)-3-methyliminobut-1-en-1-amine
CID 143155642
[(Z)-4-aminobut-3-en-2-ylidene]vanadium
CID 144985348
(Z)-4-aminopent-3-enenitrile
CID 55289579
(Z)-3-amino-N'-prop-2-enylprop-2-enimidamide
CID 130444380
2-(4-cyanobutyl)guanidine
CID 131086878
(1Z,3Z)-3-methylpenta-1,3-diene-1,5-diamine
CID 142089102
(1Z)-3-methylpenta-1,3-diene-1,5-diamine
CID 137396270
(3E,5Z)-6-amino-2,3-dimethyl-4-propan-2-ylhexa-3,5-dienenitrile;ethane
CID 165411131
(1Z)-3,4-dimethylpenta-1,3-dien-1-amine;ethane
CID 144535129
(Z)-3-amino-N-propan-2-yl-N'-propylprop-2-enimidamide
CID 137400412
acetonitrile;guanidine
CID 158129797
(E)-4,5-diaminopent-4-enenitrile
CID 129158264

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-4-aminobut-3-en-2-ylidene]amino]acetonitrile?
The IUPAC name of 2-[[(Z)-4-aminobut-3-en-2-ylidene]amino]acetonitrile (CID 59932316) is 2-[[(Z)-4-aminobut-3-en-2-ylidene]amino]acetonitrile.
What is the SMILES notation for 2-[[(Z)-4-aminobut-3-en-2-ylidene]amino]acetonitrile?
The canonical SMILES for 2-[[(Z)-4-aminobut-3-en-2-ylidene]amino]acetonitrile is CC(/C=C\N)=N\CC#N.
What is the InChIKey of 2-[[(Z)-4-aminobut-3-en-2-ylidene]amino]acetonitrile?
The InChIKey is HODJXPUPLDUSRO-NRNOEJAFSA-N. The full InChI is InChI=1S/C6H9N3/c1-6(2-3-7)9-5-4-8/h2-3H,5,7H2,1H3/b3-2-,9-6+.
What are the key properties of 2-[[(Z)-4-aminobut-3-en-2-ylidene]amino]acetonitrile?
2-[[(Z)-4-aminobut-3-en-2-ylidene]amino]acetonitrile has a molecular weight of 123.16 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-4-aminobut-3-en-2-ylidene]amino]acetonitrile is sourced from PubChem (CID 59932316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).