2-amino-1-(3-prop-2-enyl-2H-imidazol-1-yl)ethanone;hydrochloride

C8H14ClN3O — CID 175440490

IUPAC2-amino-1-(3-prop-2-enyl-2H-imidazol-1-yl)ethanone;hydrochloride
SMILESC=CCN1C=CN(C(=O)CN)C1.Cl
InChIInChI=1S/C8H13N3O.ClH/c1-2-3-10-4-5-11(7-10)8(12)6-9;/h2,4-5H,1,3,6-7,9H2;1H
InChIKeyCPSZSGSMCMWHJI-UHFFFAOYSA-N
MW203.67 g/mol
LogP0.13
Rot. Bonds3

About 2-amino-1-(3-prop-2-enyl-2H-imidazol-1-yl)ethanone;hydrochloride

2-amino-1-(3-prop-2-enyl-2H-imidazol-1-yl)ethanone;hydrochloride (PubChem CID 175440490) has the molecular formula C8H14ClN3O and a molecular weight of 203.67 g/mol. Its IUPAC name is 2-amino-1-(3-prop-2-enyl-2H-imidazol-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(3-prop-2-enyl-2H-imidazol-1-yl)ethanone;hydrochloride
PubChem CID175440490
Molecular FormulaC8H14ClN3O
Molecular Weight203.67 g/mol
Exact Mass203.08
IUPAC Name2-amino-1-(3-prop-2-enyl-2H-imidazol-1-yl)ethanone;hydrochloride
SMILESC=CCN1C=CN(C(=O)CN)C1.Cl
InChIInChI=1S/C8H13N3O.ClH/c1-2-3-10-4-5-11(7-10)8(12)6-9;/h2,4-5H,1,3,6-7,9H2;1H
InChIKeyCPSZSGSMCMWHJI-UHFFFAOYSA-N
XLogP0.13
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-prop-2-enyl-2H-imidazol-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-(3-prop-2-enyl-2H-imidazol-1-yl)ethanone;hydrochloride (CID 175440490) is 2-amino-1-(3-prop-2-enyl-2H-imidazol-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(3-prop-2-enyl-2H-imidazol-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(3-prop-2-enyl-2H-imidazol-1-yl)ethanone;hydrochloride is C=CCN1C=CN(C(=O)CN)C1.Cl.
What is the InChIKey of 2-amino-1-(3-prop-2-enyl-2H-imidazol-1-yl)ethanone;hydrochloride?
The InChIKey is CPSZSGSMCMWHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.ClH/c1-2-3-10-4-5-11(7-10)8(12)6-9;/h2,4-5H,1,3,6-7,9H2;1H.
What are the key properties of 2-amino-1-(3-prop-2-enyl-2H-imidazol-1-yl)ethanone;hydrochloride?
2-amino-1-(3-prop-2-enyl-2H-imidazol-1-yl)ethanone;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-prop-2-enyl-2H-imidazol-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 175440490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).