4-(5-methylfuran-2-yl)-1-(3-oxobutyl)imidazolidin-2-one

C12H16N2O3 — CID 116980562

IUPAC4-(5-methylfuran-2-yl)-1-(3-oxobutyl)imidazolidin-2-one
SMILESCC(=O)CCN1CC(c2ccc(C)o2)NC1=O
InChIInChI=1S/C12H16N2O3/c1-8(15)5-6-14-7-10(13-12(14)16)11-4-3-9(2)17-11/h3-4,10H,5-7H2,1-2H3,(H,13,16)
InChIKeySJRKOTPGGFMNCT-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.63
Rot. Bonds4

About 4-(5-methylfuran-2-yl)-1-(3-oxobutyl)imidazolidin-2-one

4-(5-methylfuran-2-yl)-1-(3-oxobutyl)imidazolidin-2-one (PubChem CID 116980562) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(5-methylfuran-2-yl)-1-(3-oxobutyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-(5-methylfuran-2-yl)-1-(3-oxobutyl)imidazolidin-2-one
PubChem CID116980562
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-(5-methylfuran-2-yl)-1-(3-oxobutyl)imidazolidin-2-one
SMILESCC(=O)CCN1CC(c2ccc(C)o2)NC1=O
InChIInChI=1S/C12H16N2O3/c1-8(15)5-6-14-7-10(13-12(14)16)11-4-3-9(2)17-11/h3-4,10H,5-7H2,1-2H3,(H,13,16)
InChIKeySJRKOTPGGFMNCT-UHFFFAOYSA-N
XLogP1.63
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-2-yl)-1-(3-oxobutyl)imidazolidin-2-one?
The IUPAC name of 4-(5-methylfuran-2-yl)-1-(3-oxobutyl)imidazolidin-2-one (CID 116980562) is 4-(5-methylfuran-2-yl)-1-(3-oxobutyl)imidazolidin-2-one.
What is the SMILES notation for 4-(5-methylfuran-2-yl)-1-(3-oxobutyl)imidazolidin-2-one?
The canonical SMILES for 4-(5-methylfuran-2-yl)-1-(3-oxobutyl)imidazolidin-2-one is CC(=O)CCN1CC(c2ccc(C)o2)NC1=O.
What is the InChIKey of 4-(5-methylfuran-2-yl)-1-(3-oxobutyl)imidazolidin-2-one?
The InChIKey is SJRKOTPGGFMNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(15)5-6-14-7-10(13-12(14)16)11-4-3-9(2)17-11/h3-4,10H,5-7H2,1-2H3,(H,13,16).
What are the key properties of 4-(5-methylfuran-2-yl)-1-(3-oxobutyl)imidazolidin-2-one?
4-(5-methylfuran-2-yl)-1-(3-oxobutyl)imidazolidin-2-one has a molecular weight of 236.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-yl)-1-(3-oxobutyl)imidazolidin-2-one is sourced from PubChem (CID 116980562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).