5-methyl-4-(2-methylfuran-3-yl)pyrrolidin-2-one

C10H13NO2 — CID 130647925

IUPAC5-methyl-4-(2-methylfuran-3-yl)pyrrolidin-2-one
SMILESCc1occc1C1CC(=O)NC1C
InChIInChI=1S/C10H13NO2/c1-6-9(5-10(12)11-6)8-3-4-13-7(8)2/h3-4,6,9H,5H2,1-2H3,(H,11,12)
InChIKeySCVITYDNFDTBMP-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.58
Rot. Bonds1

About 5-methyl-4-(2-methylfuran-3-yl)pyrrolidin-2-one

5-methyl-4-(2-methylfuran-3-yl)pyrrolidin-2-one (PubChem CID 130647925) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-methyl-4-(2-methylfuran-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-methyl-4-(2-methylfuran-3-yl)pyrrolidin-2-one
PubChem CID130647925
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name5-methyl-4-(2-methylfuran-3-yl)pyrrolidin-2-one
SMILESCc1occc1C1CC(=O)NC1C
InChIInChI=1S/C10H13NO2/c1-6-9(5-10(12)11-6)8-3-4-13-7(8)2/h3-4,6,9H,5H2,1-2H3,(H,11,12)
InChIKeySCVITYDNFDTBMP-UHFFFAOYSA-N
XLogP1.58
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methylfuran-3-yl)pyrrolidin-2-one?
The IUPAC name of 5-methyl-4-(2-methylfuran-3-yl)pyrrolidin-2-one (CID 130647925) is 5-methyl-4-(2-methylfuran-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 5-methyl-4-(2-methylfuran-3-yl)pyrrolidin-2-one?
The canonical SMILES for 5-methyl-4-(2-methylfuran-3-yl)pyrrolidin-2-one is Cc1occc1C1CC(=O)NC1C.
What is the InChIKey of 5-methyl-4-(2-methylfuran-3-yl)pyrrolidin-2-one?
The InChIKey is SCVITYDNFDTBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-6-9(5-10(12)11-6)8-3-4-13-7(8)2/h3-4,6,9H,5H2,1-2H3,(H,11,12).
What are the key properties of 5-methyl-4-(2-methylfuran-3-yl)pyrrolidin-2-one?
5-methyl-4-(2-methylfuran-3-yl)pyrrolidin-2-one has a molecular weight of 179.22 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methylfuran-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 130647925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).