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

C13H20N2O — CID 114973020

IUPAC(1-ethylcyclopentyl)-(1-ethylimidazol-2-yl)methanone
SMILESCCn1ccnc1C(=O)C1(CC)CCCC1
InChIInChI=1S/C13H20N2O/c1-3-13(7-5-6-8-13)11(16)12-14-9-10-15(12)4-2/h9-10H,3-8H2,1-2H3
InChIKeyVRURGQXCKWVMSV-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.06
Rot. Bonds4

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

(1-ethylcyclopentyl)-(1-ethylimidazol-2-yl)methanone (PubChem CID 114973020) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (1-ethylcyclopentyl)-(1-ethylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(1-ethylcyclopentyl)-(1-ethylimidazol-2-yl)methanone
PubChem CID114973020
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(1-ethylcyclopentyl)-(1-ethylimidazol-2-yl)methanone
SMILESCCn1ccnc1C(=O)C1(CC)CCCC1
InChIInChI=1S/C13H20N2O/c1-3-13(7-5-6-8-13)11(16)12-14-9-10-15(12)4-2/h9-10H,3-8H2,1-2H3
InChIKeyVRURGQXCKWVMSV-UHFFFAOYSA-N
XLogP3.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethylcyclopentyl)-(1-methylimidazol-2-yl)methanone
CID 114972980
(1-ethylimidazol-2-yl)-(1-methoxycyclopentyl)methanone
CID 104610250
(1-ethylimidazol-2-yl)-(2-methyloxan-2-yl)methanone
CID 80683731
(1-ethylimidazol-2-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 116608218
(1-ethylimidazol-2-yl)-(2-methylthiolan-2-yl)methanone
CID 105101153
2-(1-aminocyclohexyl)-1-(1-ethylimidazol-2-yl)ethanone
CID 116579048
(2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone
CID 107186966
(1-ethoxy-4,4-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone
CID 116750075
2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone
CID 116599518
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-2-yl)methanone
CID 114973016
(1-propylimidazol-2-yl)-(4-propylpiperidin-4-yl)methanone
CID 116569222

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl)-(1-ethylimidazol-2-yl)methanone?
The IUPAC name of (1-ethylcyclopentyl)-(1-ethylimidazol-2-yl)methanone (CID 114973020) is (1-ethylcyclopentyl)-(1-ethylimidazol-2-yl)methanone.
What is the SMILES notation for (1-ethylcyclopentyl)-(1-ethylimidazol-2-yl)methanone?
The canonical SMILES for (1-ethylcyclopentyl)-(1-ethylimidazol-2-yl)methanone is CCn1ccnc1C(=O)C1(CC)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl)-(1-ethylimidazol-2-yl)methanone?
The InChIKey is VRURGQXCKWVMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-13(7-5-6-8-13)11(16)12-14-9-10-15(12)4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of (1-ethylcyclopentyl)-(1-ethylimidazol-2-yl)methanone?
(1-ethylcyclopentyl)-(1-ethylimidazol-2-yl)methanone has a molecular weight of 220.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl)-(1-ethylimidazol-2-yl)methanone is sourced from PubChem (CID 114973020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).