3-(1,2-dimethylimidazol-4-yl)cyclopentan-1-one

C10H14N2O — CID 121317464

IUPAC3-(1,2-dimethylimidazol-4-yl)cyclopentan-1-one
SMILESCc1nc(C2CCC(=O)C2)cn1C
InChIInChI=1S/C10H14N2O/c1-7-11-10(6-12(7)2)8-3-4-9(13)5-8/h6,8H,3-5H2,1-2H3
InChIKeyHRXCETLIKFEJRX-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.57
Rot. Bonds1

About 3-(1,2-dimethylimidazol-4-yl)cyclopentan-1-one

3-(1,2-dimethylimidazol-4-yl)cyclopentan-1-one (PubChem CID 121317464) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-(1,2-dimethylimidazol-4-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(1,2-dimethylimidazol-4-yl)cyclopentan-1-one
PubChem CID121317464
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-(1,2-dimethylimidazol-4-yl)cyclopentan-1-one
SMILESCc1nc(C2CCC(=O)C2)cn1C
InChIInChI=1S/C10H14N2O/c1-7-11-10(6-12(7)2)8-3-4-9(13)5-8/h6,8H,3-5H2,1-2H3
InChIKeyHRXCETLIKFEJRX-UHFFFAOYSA-N
XLogP1.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Sdz ens 163
CID 189509
3-Ethyl-4-(3-methyl-3H-imidazol-4-ylmethyl)-dihydro-thiophen-2-one
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(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one
CID 15021362
3-Ethyl-1-methyl-4-(3-methyl-3H-imidazol-4-ylmethyl)-pyrrolidin-2-one
CID 44323879
(3R,4R)-3-ethyl-1-methyl-4-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one
CID 44323916
2,4-Bis[3-methyl-2-(trifluoromethyl)imidazol-4-yl]pentan-3-one
CID 141174269
3-[1-Propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]cyclopentan-1-one
CID 168907304
2-(5-Cyclopropyl-1-methylimidazol-2-yl)-1-(2,2-difluorocyclopropyl)ethanone
CID 174330889
2,4-Bis[3-ethyl-2-(trifluoromethyl)imidazol-4-yl]pentan-3-one
CID 174532812
2,4-Bis[2-(difluoromethyl)-3-ethylimidazol-4-yl]pentan-3-one
CID 174546753
(3R)-3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]cyclopentan-1-one
CID 175893816

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dimethylimidazol-4-yl)cyclopentan-1-one?
The IUPAC name of 3-(1,2-dimethylimidazol-4-yl)cyclopentan-1-one (CID 121317464) is 3-(1,2-dimethylimidazol-4-yl)cyclopentan-1-one.
What is the SMILES notation for 3-(1,2-dimethylimidazol-4-yl)cyclopentan-1-one?
The canonical SMILES for 3-(1,2-dimethylimidazol-4-yl)cyclopentan-1-one is Cc1nc(C2CCC(=O)C2)cn1C.
What is the InChIKey of 3-(1,2-dimethylimidazol-4-yl)cyclopentan-1-one?
The InChIKey is HRXCETLIKFEJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-11-10(6-12(7)2)8-3-4-9(13)5-8/h6,8H,3-5H2,1-2H3.
What are the key properties of 3-(1,2-dimethylimidazol-4-yl)cyclopentan-1-one?
3-(1,2-dimethylimidazol-4-yl)cyclopentan-1-one has a molecular weight of 178.24 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dimethylimidazol-4-yl)cyclopentan-1-one is sourced from PubChem (CID 121317464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).