5,5-dimethyl-4-[5-(2-methylcyclopropyl)furan-2-yl]pyrrolidin-2-one

C14H19NO2 — CID 66108706

IUPAC5,5-dimethyl-4-[5-(2-methylcyclopropyl)furan-2-yl]pyrrolidin-2-one
SMILESCC1CC1c1ccc(C2CC(=O)NC2(C)C)o1
InChIInChI=1S/C14H19NO2/c1-8-6-9(8)11-4-5-12(17-11)10-7-13(16)15-14(10,2)3/h4-5,8-10H,6-7H2,1-3H3,(H,15,16)
InChIKeyNMWHEUDLCHBQDZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.79
Rot. Bonds2

About 5,5-dimethyl-4-[5-(2-methylcyclopropyl)furan-2-yl]pyrrolidin-2-one

5,5-dimethyl-4-[5-(2-methylcyclopropyl)furan-2-yl]pyrrolidin-2-one (PubChem CID 66108706) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 5,5-dimethyl-4-[5-(2-methylcyclopropyl)furan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-4-[5-(2-methylcyclopropyl)furan-2-yl]pyrrolidin-2-one
PubChem CID66108706
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name5,5-dimethyl-4-[5-(2-methylcyclopropyl)furan-2-yl]pyrrolidin-2-one
SMILESCC1CC1c1ccc(C2CC(=O)NC2(C)C)o1
InChIInChI=1S/C14H19NO2/c1-8-6-9(8)11-4-5-12(17-11)10-7-13(16)15-14(10,2)3/h4-5,8-10H,6-7H2,1-3H3,(H,15,16)
InChIKeyNMWHEUDLCHBQDZ-UHFFFAOYSA-N
XLogP2.79
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.79
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-(2-methylcyclopropyl)furan-2-yl]pyrrolidin-2-one?
The IUPAC name of 5,5-dimethyl-4-[5-(2-methylcyclopropyl)furan-2-yl]pyrrolidin-2-one (CID 66108706) is 5,5-dimethyl-4-[5-(2-methylcyclopropyl)furan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-4-[5-(2-methylcyclopropyl)furan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 5,5-dimethyl-4-[5-(2-methylcyclopropyl)furan-2-yl]pyrrolidin-2-one is CC1CC1c1ccc(C2CC(=O)NC2(C)C)o1.
What is the InChIKey of 5,5-dimethyl-4-[5-(2-methylcyclopropyl)furan-2-yl]pyrrolidin-2-one?
The InChIKey is NMWHEUDLCHBQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-8-6-9(8)11-4-5-12(17-11)10-7-13(16)15-14(10,2)3/h4-5,8-10H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 5,5-dimethyl-4-[5-(2-methylcyclopropyl)furan-2-yl]pyrrolidin-2-one?
5,5-dimethyl-4-[5-(2-methylcyclopropyl)furan-2-yl]pyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.79, 2 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-(2-methylcyclopropyl)furan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 66108706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).