1-[2-(furan-2-yl)-2-oxoethyl]-3-propylimidazol-2-one

C12H14N2O3 — CID 80581376

IUPAC1-[2-(furan-2-yl)-2-oxoethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(=O)c2ccco2)c1=O
InChIInChI=1S/C12H14N2O3/c1-2-5-13-6-7-14(12(13)16)9-10(15)11-4-3-8-17-11/h3-4,6-8H,2,5,9H2,1H3
InChIKeyBFMKCPXOUHWZRY-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.54
Rot. Bonds5

About 1-[2-(furan-2-yl)-2-oxoethyl]-3-propylimidazol-2-one

1-[2-(furan-2-yl)-2-oxoethyl]-3-propylimidazol-2-one (PubChem CID 80581376) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-oxoethyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-oxoethyl]-3-propylimidazol-2-one
PubChem CID80581376
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-[2-(furan-2-yl)-2-oxoethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(=O)c2ccco2)c1=O
InChIInChI=1S/C12H14N2O3/c1-2-5-13-6-7-14(12(13)16)9-10(15)11-4-3-8-17-11/h3-4,6-8H,2,5,9H2,1H3
InChIKeyBFMKCPXOUHWZRY-UHFFFAOYSA-N
XLogP1.54
TPSA57.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(furan-2-yl)-2-oxoethyl]-1-propylpyrimidine-2,4-dione
CID 63799114
2-(2-ethylimidazol-1-yl)-1-(furan-2-yl)ethanone
CID 61405119
1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-3-propylimidazol-2-one
CID 80579320
1-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-propylimidazol-2-one
CID 80580045
1-(furan-2-yl)undecan-1-one
CID 15721327
1-[2-(furan-2-yl)-2-oxoethyl]-3-nitropyridin-2-one
CID 62101804
2-(5-decyl-2H-1,3-thiazol-3-yl)-1-(furan-2-yl)ethanone
CID 56978441
3-[(2-oxo-3-propylimidazol-1-yl)methyl]benzoic acid
CID 80579769
3-(2-oxo-3-phenylpropyl)-1-propylpyrimidine-2,4-dione
CID 63800154
1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
CID 55050319
5-ethyl-3-[2-(furan-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 60623077
2-(5-chloroindol-1-yl)-1-(furan-2-yl)ethanone
CID 63877831

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-oxoethyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[2-(furan-2-yl)-2-oxoethyl]-3-propylimidazol-2-one (CID 80581376) is 1-[2-(furan-2-yl)-2-oxoethyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-oxoethyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[2-(furan-2-yl)-2-oxoethyl]-3-propylimidazol-2-one is CCCn1ccn(CC(=O)c2ccco2)c1=O.
What is the InChIKey of 1-[2-(furan-2-yl)-2-oxoethyl]-3-propylimidazol-2-one?
The InChIKey is BFMKCPXOUHWZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-2-5-13-6-7-14(12(13)16)9-10(15)11-4-3-8-17-11/h3-4,6-8H,2,5,9H2,1H3.
What are the key properties of 1-[2-(furan-2-yl)-2-oxoethyl]-3-propylimidazol-2-one?
1-[2-(furan-2-yl)-2-oxoethyl]-3-propylimidazol-2-one has a molecular weight of 234.25 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-oxoethyl]-3-propylimidazol-2-one is sourced from PubChem (CID 80581376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).