3-(1-methylimidazol-4-yl)propanamide;hydrochloride

C7H12ClN3O — CID 22069238

IUPAC3-(1-methylimidazol-4-yl)propanamide;hydrochloride
SMILESCl.Cn1cnc(CCC(N)=O)c1
InChIInChI=1S/C7H11N3O.ClH/c1-10-4-6(9-5-10)2-3-7(8)11;/h4-5H,2-3H2,1H3,(H2,8,11);1H
InChIKeyKMSRYSHXGABIQC-UHFFFAOYSA-N
MW189.65 g/mol
LogP0.26
Rot. Bonds3

About 3-(1-methylimidazol-4-yl)propanamide;hydrochloride

3-(1-methylimidazol-4-yl)propanamide;hydrochloride (PubChem CID 22069238) has the molecular formula C7H12ClN3O and a molecular weight of 189.65 g/mol. Its IUPAC name is 3-(1-methylimidazol-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(1-methylimidazol-4-yl)propanamide;hydrochloride
PubChem CID22069238
Molecular FormulaC7H12ClN3O
Molecular Weight189.65 g/mol
Exact Mass189.07
IUPAC Name3-(1-methylimidazol-4-yl)propanamide;hydrochloride
SMILESCl.Cn1cnc(CCC(N)=O)c1
InChIInChI=1S/C7H11N3O.ClH/c1-10-4-6(9-5-10)2-3-7(8)11;/h4-5H,2-3H2,1H3,(H2,8,11);1H
InChIKeyKMSRYSHXGABIQC-UHFFFAOYSA-N
XLogP0.26
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.65
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-4-yl)propanamide;hydrochloride?
The IUPAC name of 3-(1-methylimidazol-4-yl)propanamide;hydrochloride (CID 22069238) is 3-(1-methylimidazol-4-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-(1-methylimidazol-4-yl)propanamide;hydrochloride?
The canonical SMILES for 3-(1-methylimidazol-4-yl)propanamide;hydrochloride is Cl.Cn1cnc(CCC(N)=O)c1.
What is the InChIKey of 3-(1-methylimidazol-4-yl)propanamide;hydrochloride?
The InChIKey is KMSRYSHXGABIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.ClH/c1-10-4-6(9-5-10)2-3-7(8)11;/h4-5H,2-3H2,1H3,(H2,8,11);1H.
What are the key properties of 3-(1-methylimidazol-4-yl)propanamide;hydrochloride?
3-(1-methylimidazol-4-yl)propanamide;hydrochloride has a molecular weight of 189.65 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 22069238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).