1-(cyclohexen-1-yl)-3-(1-propylimidazol-2-yl)propan-2-one

C15H22N2O — CID 116659612

IUPAC1-(cyclohexen-1-yl)-3-(1-propylimidazol-2-yl)propan-2-one
SMILESCCCn1ccnc1CC(=O)CC1=CCCCC1
InChIInChI=1S/C15H22N2O/c1-2-9-17-10-8-16-15(17)12-14(18)11-13-6-4-3-5-7-13/h6,8,10H,2-5,7,9,11-12H2,1H3
InChIKeyFHPYFNNMTYXZTL-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.30
Rot. Bonds6

About 1-(cyclohexen-1-yl)-3-(1-propylimidazol-2-yl)propan-2-one

1-(cyclohexen-1-yl)-3-(1-propylimidazol-2-yl)propan-2-one (PubChem CID 116659612) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(1-propylimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(1-propylimidazol-2-yl)propan-2-one
PubChem CID116659612
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(cyclohexen-1-yl)-3-(1-propylimidazol-2-yl)propan-2-one
SMILESCCCn1ccnc1CC(=O)CC1=CCCCC1
InChIInChI=1S/C15H22N2O/c1-2-9-17-10-8-16-15(17)12-14(18)11-13-6-4-3-5-7-13/h6,8,10H,2-5,7,9,11-12H2,1H3
InChIKeyFHPYFNNMTYXZTL-UHFFFAOYSA-N
XLogP3.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one
CID 115345722
1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one
CID 116557654
1-(2-aminoethoxy)-3-(1-propylimidazol-2-yl)propan-2-one
CID 116590952
1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone
CID 103449553
5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one
CID 116571370
1-butan-2-ylsulfanyl-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744286
3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 103452891
(E)-1-(1-propylimidazol-2-yl)pent-3-en-2-one
CID 103453243
cyclopenten-1-yl-(1-propylimidazol-2-yl)methanone
CID 103448076
1-[1-(dimethylamino)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone
CID 79744387
3-amino-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116584036
1-(cyclohexen-1-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
CID 116659647

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-(1-propylimidazol-2-yl)propan-2-one?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(1-propylimidazol-2-yl)propan-2-one (CID 116659612) is 1-(cyclohexen-1-yl)-3-(1-propylimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(1-propylimidazol-2-yl)propan-2-one?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(1-propylimidazol-2-yl)propan-2-one is CCCn1ccnc1CC(=O)CC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(1-propylimidazol-2-yl)propan-2-one?
The InChIKey is FHPYFNNMTYXZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-9-17-10-8-16-15(17)12-14(18)11-13-6-4-3-5-7-13/h6,8,10H,2-5,7,9,11-12H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-3-(1-propylimidazol-2-yl)propan-2-one?
1-(cyclohexen-1-yl)-3-(1-propylimidazol-2-yl)propan-2-one has a molecular weight of 246.35 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-(1-propylimidazol-2-yl)propan-2-one is sourced from PubChem (CID 116659612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).