1-[2-(oxolan-2-yl)ethyl]-3-propan-2-ylimidazol-2-one

C12H20N2O2 — CID 116625132

IUPAC1-[2-(oxolan-2-yl)ethyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CCC2CCCO2)c1=O
InChIInChI=1S/C12H20N2O2/c1-10(2)14-8-7-13(12(14)15)6-5-11-4-3-9-16-11/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyPOPVNJJRFOLDCW-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.80
Rot. Bonds4

About 1-[2-(oxolan-2-yl)ethyl]-3-propan-2-ylimidazol-2-one

1-[2-(oxolan-2-yl)ethyl]-3-propan-2-ylimidazol-2-one (PubChem CID 116625132) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)ethyl]-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)ethyl]-3-propan-2-ylimidazol-2-one
PubChem CID116625132
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-[2-(oxolan-2-yl)ethyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CCC2CCCO2)c1=O
InChIInChI=1S/C12H20N2O2/c1-10(2)14-8-7-13(12(14)15)6-5-11-4-3-9-16-11/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyPOPVNJJRFOLDCW-UHFFFAOYSA-N
XLogP1.80
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 106934183
1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 114705093
5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 166647748
1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 81340007
5-acetyl-3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 80648817
N-cyclopropyl-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine
CID 106567497
6-chloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one
CID 114582299
1-methyl-3-[2-(oxolan-2-yl)ethylamino]pyrazin-2-one
CID 62938870
3-[2-(oxolan-2-yl)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83249516
1-(1-methylimidazol-2-yl)-5-(oxolan-2-yl)pentan-3-one
CID 115811846
5-amino-3-bromo-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 80501981
N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine
CID 65162327

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-yl)ethyl]-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-[2-(oxolan-2-yl)ethyl]-3-propan-2-ylimidazol-2-one (CID 116625132) is 1-[2-(oxolan-2-yl)ethyl]-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-[2-(oxolan-2-yl)ethyl]-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-[2-(oxolan-2-yl)ethyl]-3-propan-2-ylimidazol-2-one is CC(C)n1ccn(CCC2CCCO2)c1=O.
What is the InChIKey of 1-[2-(oxolan-2-yl)ethyl]-3-propan-2-ylimidazol-2-one?
The InChIKey is POPVNJJRFOLDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10(2)14-8-7-13(12(14)15)6-5-11-4-3-9-16-11/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 1-[2-(oxolan-2-yl)ethyl]-3-propan-2-ylimidazol-2-one?
1-[2-(oxolan-2-yl)ethyl]-3-propan-2-ylimidazol-2-one has a molecular weight of 224.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-yl)ethyl]-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 116625132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).