5,5-dimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one

C11H15NO2 — CID 66106542

IUPAC5,5-dimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one
SMILESCc1ccc(C2CC(=O)NC2(C)C)o1
InChIInChI=1S/C11H15NO2/c1-7-4-5-9(14-7)8-6-10(13)12-11(8,2)3/h4-5,8H,6H2,1-3H3,(H,12,13)
InChIKeyCYJKNSZAMAILSO-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.97
Rot. Bonds1

About 5,5-dimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one

5,5-dimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one (PubChem CID 66106542) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 5,5-dimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one
PubChem CID66106542
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name5,5-dimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one
SMILESCc1ccc(C2CC(=O)NC2(C)C)o1
InChIInChI=1S/C11H15NO2/c1-7-4-5-9(14-7)8-6-10(13)12-11(8,2)3/h4-5,8H,6H2,1-3H3,(H,12,13)
InChIKeyCYJKNSZAMAILSO-UHFFFAOYSA-N
XLogP1.97
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one?
The IUPAC name of 5,5-dimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one (CID 66106542) is 5,5-dimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one?
The canonical SMILES for 5,5-dimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one is Cc1ccc(C2CC(=O)NC2(C)C)o1.
What is the InChIKey of 5,5-dimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one?
The InChIKey is CYJKNSZAMAILSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-4-5-9(14-7)8-6-10(13)12-11(8,2)3/h4-5,8H,6H2,1-3H3,(H,12,13).
What are the key properties of 5,5-dimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one?
5,5-dimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 66106542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).