1-(5-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanone

C13H20N2O2 — CID 115784823

IUPAC1-(5-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)C1CCC(C)O1
InChIInChI=1S/C13H20N2O2/c1-3-7-15-8-6-14-13(15)9-11(16)12-5-4-10(2)17-12/h6,8,10,12H,3-5,7,9H2,1-2H3
InChIKeyUCDHWLYKBMGGJP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.97
Rot. Bonds5

About 1-(5-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanone

1-(5-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanone (PubChem CID 115784823) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(5-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanone
PubChem CID115784823
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(5-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)C1CCC(C)O1
InChIInChI=1S/C13H20N2O2/c1-3-7-15-8-6-14-13(15)9-11(16)12-5-4-10(2)17-12/h6,8,10,12H,3-5,7,9H2,1-2H3
InChIKeyUCDHWLYKBMGGJP-UHFFFAOYSA-N
XLogP1.97
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-morpholin-2-yl-2-(1-propylimidazol-2-yl)ethanone
CID 116561696
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 79744117
1-(3-methyl-1,4-dithian-2-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 115385686
1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one
CID 116557654
1-(2,3-dihydro-1H-inden-1-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 79744199
1-(4-methoxypyrrolidin-2-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 116560631
(E)-1-(1-propylimidazol-2-yl)pent-3-en-2-one
CID 103453243
1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone
CID 79744561
3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 103452891
3-amino-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116584036
5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one
CID 116571370
1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone
CID 103449553

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanone?
The IUPAC name of 1-(5-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanone (CID 115784823) is 1-(5-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(5-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(5-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanone is CCCn1ccnc1CC(=O)C1CCC(C)O1.
What is the InChIKey of 1-(5-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanone?
The InChIKey is UCDHWLYKBMGGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-7-15-8-6-14-13(15)9-11(16)12-5-4-10(2)17-12/h6,8,10,12H,3-5,7,9H2,1-2H3.
What are the key properties of 1-(5-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanone?
1-(5-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanone has a molecular weight of 236.31 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanone is sourced from PubChem (CID 115784823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).