2-aminopent-4-enenitrile;hydrochloride

C5H9ClN2 — CID 19438057

IUPAC2-aminopent-4-enenitrile;hydrochloride
SMILESC=CCC(N)C#N.Cl
InChIInChI=1S/C5H8N2.ClH/c1-2-3-5(7)4-6;/h2,5H,1,3,7H2;1H
InChIKeyYGZNCUIRBMYGES-UHFFFAOYSA-N
MW132.59 g/mol
LogP0.84
Rot. Bonds2

About 2-aminopent-4-enenitrile;hydrochloride

2-aminopent-4-enenitrile;hydrochloride (PubChem CID 19438057) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is 2-aminopent-4-enenitrile;hydrochloride.

Molecular Properties

Compound Name2-aminopent-4-enenitrile;hydrochloride
PubChem CID19438057
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC Name2-aminopent-4-enenitrile;hydrochloride
SMILESC=CCC(N)C#N.Cl
InChIInChI=1S/C5H8N2.ClH/c1-2-3-5(7)4-6;/h2,5H,1,3,7H2;1H
InChIKeyYGZNCUIRBMYGES-UHFFFAOYSA-N
XLogP0.84
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-prop-2-enoxypropanenitrile
CID 19739900
3-methyldeca-1,9-dien-5-yne-4,7-diamine
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2-[(1R)-1-aminobut-3-enyl]benzonitrile;hydrochloride
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(2R)-2-amino-3-[[4-(prop-2-enoxymethyl)phenyl]methoxy]propanenitrile
CID 10988591
2-(ethenyliminomethyl)pent-4-enenitrile
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CID 18417202
CID 18417202
1-fluoro-1-iodopent-4-en-2-amine;hydrochloride
CID 88770159
(3S)-3-methylhex-5-enenitrile
CID 139905657
(1S)-1-cyclopropylbut-3-en-1-amine;hydrochloride
CID 50999328
1-aminobut-3-enyl-hydroxy-oxophosphanium
CID 55289122
(3-amino-3-cyanopropyl)-methylphosphinate
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2-pyrrol-1-ylpent-4-enenitrile
CID 67593374

Frequently Asked Questions

What is the IUPAC name of 2-aminopent-4-enenitrile;hydrochloride?
The IUPAC name of 2-aminopent-4-enenitrile;hydrochloride (CID 19438057) is 2-aminopent-4-enenitrile;hydrochloride.
What is the SMILES notation for 2-aminopent-4-enenitrile;hydrochloride?
The canonical SMILES for 2-aminopent-4-enenitrile;hydrochloride is C=CCC(N)C#N.Cl.
What is the InChIKey of 2-aminopent-4-enenitrile;hydrochloride?
The InChIKey is YGZNCUIRBMYGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.ClH/c1-2-3-5(7)4-6;/h2,5H,1,3,7H2;1H.
What are the key properties of 2-aminopent-4-enenitrile;hydrochloride?
2-aminopent-4-enenitrile;hydrochloride has a molecular weight of 132.59 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopent-4-enenitrile;hydrochloride is sourced from PubChem (CID 19438057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).