(1-ethylcyclopentyl)-(1-methylimidazol-2-yl)methanone

C12H18N2O — CID 114972980

IUPAC(1-ethylcyclopentyl)-(1-methylimidazol-2-yl)methanone
SMILESCCC1(C(=O)c2nccn2C)CCCC1
InChIInChI=1S/C12H18N2O/c1-3-12(6-4-5-7-12)10(15)11-13-8-9-14(11)2/h8-9H,3-7H2,1-2H3
InChIKeyFBYOJHCUDGAIJJ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.57
Rot. Bonds3

About (1-ethylcyclopentyl)-(1-methylimidazol-2-yl)methanone

(1-ethylcyclopentyl)-(1-methylimidazol-2-yl)methanone (PubChem CID 114972980) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (1-ethylcyclopentyl)-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(1-ethylcyclopentyl)-(1-methylimidazol-2-yl)methanone
PubChem CID114972980
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(1-ethylcyclopentyl)-(1-methylimidazol-2-yl)methanone
SMILESCCC1(C(=O)c2nccn2C)CCCC1
InChIInChI=1S/C12H18N2O/c1-3-12(6-4-5-7-12)10(15)11-13-8-9-14(11)2/h8-9H,3-7H2,1-2H3
InChIKeyFBYOJHCUDGAIJJ-UHFFFAOYSA-N
XLogP2.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethylcyclopentyl)-(1-ethylimidazol-2-yl)methanone
CID 114973020
(1-methoxycyclopentyl)-(1-methylimidazol-2-yl)methanone
CID 104610183
(1-methoxycycloheptyl)-(1-methylimidazol-2-yl)methanone
CID 116750447
(1-methylimidazol-2-yl)-(2-methyloxan-2-yl)methanone
CID 80690249
3-ethyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid
CID 63136213
(1-methylimidazol-2-yl)-(1-phenylcyclopropyl)methanone
CID 60660103
1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 114528834
2-[1-(aminomethyl)cyclobutyl]-1-(1-methylimidazol-2-yl)ethanone
CID 116599367
2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one
CID 13152280
tris(bis(1-methylimidazol-2-yl)methanone);iron(2+);dichloride;hexahydrate
CID 139059297
(2,2-dimethylcyclopentyl)-(1-methylimidazol-2-yl)methanone
CID 107186965
(1-ethylimidazol-2-yl)-(1-methoxycyclopentyl)methanone
CID 104610250

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl)-(1-methylimidazol-2-yl)methanone?
The IUPAC name of (1-ethylcyclopentyl)-(1-methylimidazol-2-yl)methanone (CID 114972980) is (1-ethylcyclopentyl)-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for (1-ethylcyclopentyl)-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for (1-ethylcyclopentyl)-(1-methylimidazol-2-yl)methanone is CCC1(C(=O)c2nccn2C)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl)-(1-methylimidazol-2-yl)methanone?
The InChIKey is FBYOJHCUDGAIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-12(6-4-5-7-12)10(15)11-13-8-9-14(11)2/h8-9H,3-7H2,1-2H3.
What are the key properties of (1-ethylcyclopentyl)-(1-methylimidazol-2-yl)methanone?
(1-ethylcyclopentyl)-(1-methylimidazol-2-yl)methanone has a molecular weight of 206.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl)-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 114972980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).