5,5-dimethyl-1-(5-methylfuran-2-carbonyl)pyrrolidin-3-one

C12H15NO3 — CID 115275530

IUPAC5,5-dimethyl-1-(5-methylfuran-2-carbonyl)pyrrolidin-3-one
SMILESCc1ccc(C(=O)N2CC(=O)CC2(C)C)o1
InChIInChI=1S/C12H15NO3/c1-8-4-5-10(16-8)11(15)13-7-9(14)6-12(13,2)3/h4-5H,6-7H2,1-3H3
InChIKeyGAJNDPWSPAZPRN-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.78
Rot. Bonds1

About 5,5-dimethyl-1-(5-methylfuran-2-carbonyl)pyrrolidin-3-one

5,5-dimethyl-1-(5-methylfuran-2-carbonyl)pyrrolidin-3-one (PubChem CID 115275530) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5,5-dimethyl-1-(5-methylfuran-2-carbonyl)pyrrolidin-3-one.

Molecular Properties

Compound Name5,5-dimethyl-1-(5-methylfuran-2-carbonyl)pyrrolidin-3-one
PubChem CID115275530
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name5,5-dimethyl-1-(5-methylfuran-2-carbonyl)pyrrolidin-3-one
SMILESCc1ccc(C(=O)N2CC(=O)CC2(C)C)o1
InChIInChI=1S/C12H15NO3/c1-8-4-5-10(16-8)11(15)13-7-9(14)6-12(13,2)3/h4-5H,6-7H2,1-3H3
InChIKeyGAJNDPWSPAZPRN-UHFFFAOYSA-N
XLogP1.78
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(5-methylfuran-2-carbonyl)pyrrolidin-3-one?
The IUPAC name of 5,5-dimethyl-1-(5-methylfuran-2-carbonyl)pyrrolidin-3-one (CID 115275530) is 5,5-dimethyl-1-(5-methylfuran-2-carbonyl)pyrrolidin-3-one.
What is the SMILES notation for 5,5-dimethyl-1-(5-methylfuran-2-carbonyl)pyrrolidin-3-one?
The canonical SMILES for 5,5-dimethyl-1-(5-methylfuran-2-carbonyl)pyrrolidin-3-one is Cc1ccc(C(=O)N2CC(=O)CC2(C)C)o1.
What is the InChIKey of 5,5-dimethyl-1-(5-methylfuran-2-carbonyl)pyrrolidin-3-one?
The InChIKey is GAJNDPWSPAZPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8-4-5-10(16-8)11(15)13-7-9(14)6-12(13,2)3/h4-5H,6-7H2,1-3H3.
What are the key properties of 5,5-dimethyl-1-(5-methylfuran-2-carbonyl)pyrrolidin-3-one?
5,5-dimethyl-1-(5-methylfuran-2-carbonyl)pyrrolidin-3-one has a molecular weight of 221.26 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(5-methylfuran-2-carbonyl)pyrrolidin-3-one is sourced from PubChem (CID 115275530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).