1-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]ethanone

C10H14N2O — CID 68882473

IUPAC1-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]ethanone
SMILESCC(=O)c1cnc(C)n1CC1CC1
InChIInChI=1S/C10H14N2O/c1-7(13)10-5-11-8(2)12(10)6-9-3-4-9/h5,9H,3-4,6H2,1-2H3
InChIKeyRVIUUFWULIVTGJ-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.80
Rot. Bonds3

About 1-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]ethanone

1-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]ethanone (PubChem CID 68882473) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]ethanone
PubChem CID68882473
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]ethanone
SMILESCC(=O)c1cnc(C)n1CC1CC1
InChIInChI=1S/C10H14N2O/c1-7(13)10-5-11-8(2)12(10)6-9-3-4-9/h5,9H,3-4,6H2,1-2H3
InChIKeyRVIUUFWULIVTGJ-UHFFFAOYSA-N
XLogP1.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]ethanone?
The IUPAC name of 1-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]ethanone (CID 68882473) is 1-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]ethanone?
The canonical SMILES for 1-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]ethanone is CC(=O)c1cnc(C)n1CC1CC1.
What is the InChIKey of 1-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]ethanone?
The InChIKey is RVIUUFWULIVTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7(13)10-5-11-8(2)12(10)6-9-3-4-9/h5,9H,3-4,6H2,1-2H3.
What are the key properties of 1-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]ethanone?
1-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]ethanone has a molecular weight of 178.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]ethanone is sourced from PubChem (CID 68882473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).