2-cyclopentyl-1-(3-methylimidazol-4-yl)ethanone

C11H16N2O — CID 82895199

IUPAC2-cyclopentyl-1-(3-methylimidazol-4-yl)ethanone
SMILESCn1cncc1C(=O)CC1CCCC1
InChIInChI=1S/C11H16N2O/c1-13-8-12-7-10(13)11(14)6-9-4-2-3-5-9/h7-9H,2-6H2,1H3
InChIKeyCENNFBZXQPPOJG-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.18
Rot. Bonds3

About 2-cyclopentyl-1-(3-methylimidazol-4-yl)ethanone

2-cyclopentyl-1-(3-methylimidazol-4-yl)ethanone (PubChem CID 82895199) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-cyclopentyl-1-(3-methylimidazol-4-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(3-methylimidazol-4-yl)ethanone
PubChem CID82895199
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-cyclopentyl-1-(3-methylimidazol-4-yl)ethanone
SMILESCn1cncc1C(=O)CC1CCCC1
InChIInChI=1S/C11H16N2O/c1-13-8-12-7-10(13)11(14)6-9-4-2-3-5-9/h7-9H,2-6H2,1H3
InChIKeyCENNFBZXQPPOJG-UHFFFAOYSA-N
XLogP2.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(3-methylimidazol-4-yl)ethanone?
The IUPAC name of 2-cyclopentyl-1-(3-methylimidazol-4-yl)ethanone (CID 82895199) is 2-cyclopentyl-1-(3-methylimidazol-4-yl)ethanone.
What is the SMILES notation for 2-cyclopentyl-1-(3-methylimidazol-4-yl)ethanone?
The canonical SMILES for 2-cyclopentyl-1-(3-methylimidazol-4-yl)ethanone is Cn1cncc1C(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-(3-methylimidazol-4-yl)ethanone?
The InChIKey is CENNFBZXQPPOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-13-8-12-7-10(13)11(14)6-9-4-2-3-5-9/h7-9H,2-6H2,1H3.
What are the key properties of 2-cyclopentyl-1-(3-methylimidazol-4-yl)ethanone?
2-cyclopentyl-1-(3-methylimidazol-4-yl)ethanone has a molecular weight of 192.26 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(3-methylimidazol-4-yl)ethanone is sourced from PubChem (CID 82895199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).