1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one

C13H20N2O — CID 115811706

IUPAC1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one
SMILESCn1ccnc1CCC(=O)C1(C)CCCC1
InChIInChI=1S/C13H20N2O/c1-13(7-3-4-8-13)11(16)5-6-12-14-9-10-15(12)2/h9-10H,3-8H2,1-2H3
InChIKeyWQAIVLGWNAJENP-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.50
Rot. Bonds4

About 1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one

1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one (PubChem CID 115811706) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one
PubChem CID115811706
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one
SMILESCn1ccnc1CCC(=O)C1(C)CCCC1
InChIInChI=1S/C13H20N2O/c1-13(7-3-4-8-13)11(16)5-6-12-14-9-10-15(12)2/h9-10H,3-8H2,1-2H3
InChIKeyWQAIVLGWNAJENP-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529606
1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533271
1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 114528834
2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole
CID 114532734
1-(1-hydroxycycloheptyl)-2-(1-methylimidazol-2-yl)ethanone
CID 103450287
(1-methylcyclopropyl)-[4-[2-(1-methylimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]methanone
CID 137342045
1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone
CID 104610093
1-[1-(dimethylamino)cyclohexyl]-2-(1-methylimidazol-2-yl)ethanone
CID 79744204
4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid
CID 114528845
4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one
CID 103451481
3-fluoro-3-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 114533123
N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine
CID 114531428

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one?
The IUPAC name of 1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one (CID 115811706) is 1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one?
The canonical SMILES for 1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one is Cn1ccnc1CCC(=O)C1(C)CCCC1.
What is the InChIKey of 1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one?
The InChIKey is WQAIVLGWNAJENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(7-3-4-8-13)11(16)5-6-12-14-9-10-15(12)2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one?
1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one has a molecular weight of 220.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one is sourced from PubChem (CID 115811706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).