2,2-dimethyl-1-[4-(5-methylfuran-2-yl)butanoyl]pyrrolidin-3-one

C15H21NO3 — CID 115275201

IUPAC2,2-dimethyl-1-[4-(5-methylfuran-2-yl)butanoyl]pyrrolidin-3-one
SMILESCc1ccc(CCCC(=O)N2CCC(=O)C2(C)C)o1
InChIInChI=1S/C15H21NO3/c1-11-7-8-12(19-11)5-4-6-14(18)16-10-9-13(17)15(16,2)3/h7-8H,4-6,9-10H2,1-3H3
InChIKeyGIAANGQKNYBYOW-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.49
Rot. Bonds4

About 2,2-dimethyl-1-[4-(5-methylfuran-2-yl)butanoyl]pyrrolidin-3-one

2,2-dimethyl-1-[4-(5-methylfuran-2-yl)butanoyl]pyrrolidin-3-one (PubChem CID 115275201) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(5-methylfuran-2-yl)butanoyl]pyrrolidin-3-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(5-methylfuran-2-yl)butanoyl]pyrrolidin-3-one
PubChem CID115275201
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2,2-dimethyl-1-[4-(5-methylfuran-2-yl)butanoyl]pyrrolidin-3-one
SMILESCc1ccc(CCCC(=O)N2CCC(=O)C2(C)C)o1
InChIInChI=1S/C15H21NO3/c1-11-7-8-12(19-11)5-4-6-14(18)16-10-9-13(17)15(16,2)3/h7-8H,4-6,9-10H2,1-3H3
InChIKeyGIAANGQKNYBYOW-UHFFFAOYSA-N
XLogP2.49
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(5-methylfuran-2-yl)butanoyl]pyrrolidin-3-one?
The IUPAC name of 2,2-dimethyl-1-[4-(5-methylfuran-2-yl)butanoyl]pyrrolidin-3-one (CID 115275201) is 2,2-dimethyl-1-[4-(5-methylfuran-2-yl)butanoyl]pyrrolidin-3-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(5-methylfuran-2-yl)butanoyl]pyrrolidin-3-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(5-methylfuran-2-yl)butanoyl]pyrrolidin-3-one is Cc1ccc(CCCC(=O)N2CCC(=O)C2(C)C)o1.
What is the InChIKey of 2,2-dimethyl-1-[4-(5-methylfuran-2-yl)butanoyl]pyrrolidin-3-one?
The InChIKey is GIAANGQKNYBYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-7-8-12(19-11)5-4-6-14(18)16-10-9-13(17)15(16,2)3/h7-8H,4-6,9-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(5-methylfuran-2-yl)butanoyl]pyrrolidin-3-one?
2,2-dimethyl-1-[4-(5-methylfuran-2-yl)butanoyl]pyrrolidin-3-one has a molecular weight of 263.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(5-methylfuran-2-yl)butanoyl]pyrrolidin-3-one is sourced from PubChem (CID 115275201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).