1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanone;hydrochloride

C9H13ClN2O — CID 154832831

IUPAC1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanone;hydrochloride
SMILESCl.Cn1ccnc1CC(=O)C1CC1
InChIInChI=1S/C9H12N2O.ClH/c1-11-5-4-10-9(11)6-8(12)7-2-3-7;/h4-5,7H,2-3,6H2,1H3;1H
InChIKeyQHRXYPOWPWDWBN-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.36
Rot. Bonds3

About 1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanone;hydrochloride

1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanone;hydrochloride (PubChem CID 154832831) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanone;hydrochloride
PubChem CID154832831
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanone;hydrochloride
SMILESCl.Cn1ccnc1CC(=O)C1CC1
InChIInChI=1S/C9H12N2O.ClH/c1-11-5-4-10-9(11)6-8(12)7-2-3-7;/h4-5,7H,2-3,6H2,1H3;1H
InChIKeyQHRXYPOWPWDWBN-UHFFFAOYSA-N
XLogP1.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanone;hydrochloride?
The IUPAC name of 1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanone;hydrochloride (CID 154832831) is 1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanone;hydrochloride?
The canonical SMILES for 1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanone;hydrochloride is Cl.Cn1ccnc1CC(=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanone;hydrochloride?
The InChIKey is QHRXYPOWPWDWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.ClH/c1-11-5-4-10-9(11)6-8(12)7-2-3-7;/h4-5,7H,2-3,6H2,1H3;1H.
What are the key properties of 1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanone;hydrochloride?
1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanone;hydrochloride has a molecular weight of 200.67 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanone;hydrochloride is sourced from PubChem (CID 154832831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).