1-methyl-5-(2-methylbutanoyl)pyrrolidin-2-one

C10H17NO2 — CID 170030730

IUPAC1-methyl-5-(2-methylbutanoyl)pyrrolidin-2-one
SMILESCCC(C)C(=O)C1CCC(=O)N1C
InChIInChI=1S/C10H17NO2/c1-4-7(2)10(13)8-5-6-9(12)11(8)3/h7-8H,4-6H2,1-3H3
InChIKeyAKYJCQNNOUBYMJ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.22
Rot. Bonds3

About 1-methyl-5-(2-methylbutanoyl)pyrrolidin-2-one

1-methyl-5-(2-methylbutanoyl)pyrrolidin-2-one (PubChem CID 170030730) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-methyl-5-(2-methylbutanoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-5-(2-methylbutanoyl)pyrrolidin-2-one
PubChem CID170030730
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-methyl-5-(2-methylbutanoyl)pyrrolidin-2-one
SMILESCCC(C)C(=O)C1CCC(=O)N1C
InChIInChI=1S/C10H17NO2/c1-4-7(2)10(13)8-5-6-9(12)11(8)3/h7-8H,4-6H2,1-3H3
InChIKeyAKYJCQNNOUBYMJ-UHFFFAOYSA-N
XLogP1.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methylbutanoyl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-5-(2-methylbutanoyl)pyrrolidin-2-one (CID 170030730) is 1-methyl-5-(2-methylbutanoyl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-5-(2-methylbutanoyl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-5-(2-methylbutanoyl)pyrrolidin-2-one is CCC(C)C(=O)C1CCC(=O)N1C.
What is the InChIKey of 1-methyl-5-(2-methylbutanoyl)pyrrolidin-2-one?
The InChIKey is AKYJCQNNOUBYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-7(2)10(13)8-5-6-9(12)11(8)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-methyl-5-(2-methylbutanoyl)pyrrolidin-2-one?
1-methyl-5-(2-methylbutanoyl)pyrrolidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methylbutanoyl)pyrrolidin-2-one is sourced from PubChem (CID 170030730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).