1-(1-benzofuran-3-carbonyl)-2,2-dimethylpyrrolidin-3-one

C15H15NO3 — CID 115275136

IUPAC1-(1-benzofuran-3-carbonyl)-2,2-dimethylpyrrolidin-3-one
SMILESCC1(C)C(=O)CCN1C(=O)c1coc2ccccc12
InChIInChI=1S/C15H15NO3/c1-15(2)13(17)7-8-16(15)14(18)11-9-19-12-6-4-3-5-10(11)12/h3-6,9H,7-8H2,1-2H3
InChIKeyMPTLUAMRNAZWIJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.63
Rot. Bonds1

About 1-(1-benzofuran-3-carbonyl)-2,2-dimethylpyrrolidin-3-one

1-(1-benzofuran-3-carbonyl)-2,2-dimethylpyrrolidin-3-one (PubChem CID 115275136) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(1-benzofuran-3-carbonyl)-2,2-dimethylpyrrolidin-3-one.

Molecular Properties

Compound Name1-(1-benzofuran-3-carbonyl)-2,2-dimethylpyrrolidin-3-one
PubChem CID115275136
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name1-(1-benzofuran-3-carbonyl)-2,2-dimethylpyrrolidin-3-one
SMILESCC1(C)C(=O)CCN1C(=O)c1coc2ccccc12
InChIInChI=1S/C15H15NO3/c1-15(2)13(17)7-8-16(15)14(18)11-9-19-12-6-4-3-5-10(11)12/h3-6,9H,7-8H2,1-2H3
InChIKeyMPTLUAMRNAZWIJ-UHFFFAOYSA-N
XLogP2.63
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-carbonyl)-2,2-dimethylpyrrolidin-3-one?
The IUPAC name of 1-(1-benzofuran-3-carbonyl)-2,2-dimethylpyrrolidin-3-one (CID 115275136) is 1-(1-benzofuran-3-carbonyl)-2,2-dimethylpyrrolidin-3-one.
What is the SMILES notation for 1-(1-benzofuran-3-carbonyl)-2,2-dimethylpyrrolidin-3-one?
The canonical SMILES for 1-(1-benzofuran-3-carbonyl)-2,2-dimethylpyrrolidin-3-one is CC1(C)C(=O)CCN1C(=O)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-carbonyl)-2,2-dimethylpyrrolidin-3-one?
The InChIKey is MPTLUAMRNAZWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-15(2)13(17)7-8-16(15)14(18)11-9-19-12-6-4-3-5-10(11)12/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-(1-benzofuran-3-carbonyl)-2,2-dimethylpyrrolidin-3-one?
1-(1-benzofuran-3-carbonyl)-2,2-dimethylpyrrolidin-3-one has a molecular weight of 257.29 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-carbonyl)-2,2-dimethylpyrrolidin-3-one is sourced from PubChem (CID 115275136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).