5-(2-methylbutanoyl)-1-prop-1-enylpyrrolidin-2-one

C12H19NO2 — CID 131873141

IUPAC5-(2-methylbutanoyl)-1-prop-1-enylpyrrolidin-2-one
SMILESCC=CN1C(=O)CCC1C(=O)C(C)CC
InChIInChI=1S/C12H19NO2/c1-4-8-13-10(6-7-11(13)14)12(15)9(3)5-2/h4,8-10H,5-7H2,1-3H3
InChIKeyBKMKJKWEEBTGTR-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.13
Rot. Bonds4

About 5-(2-methylbutanoyl)-1-prop-1-enylpyrrolidin-2-one

5-(2-methylbutanoyl)-1-prop-1-enylpyrrolidin-2-one (PubChem CID 131873141) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-(2-methylbutanoyl)-1-prop-1-enylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(2-methylbutanoyl)-1-prop-1-enylpyrrolidin-2-one
PubChem CID131873141
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name5-(2-methylbutanoyl)-1-prop-1-enylpyrrolidin-2-one
SMILESCC=CN1C(=O)CCC1C(=O)C(C)CC
InChIInChI=1S/C12H19NO2/c1-4-8-13-10(6-7-11(13)14)12(15)9(3)5-2/h4,8-10H,5-7H2,1-3H3
InChIKeyBKMKJKWEEBTGTR-UHFFFAOYSA-N
XLogP2.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutanoyl)-1-prop-1-enylpyrrolidin-2-one?
The IUPAC name of 5-(2-methylbutanoyl)-1-prop-1-enylpyrrolidin-2-one (CID 131873141) is 5-(2-methylbutanoyl)-1-prop-1-enylpyrrolidin-2-one.
What is the SMILES notation for 5-(2-methylbutanoyl)-1-prop-1-enylpyrrolidin-2-one?
The canonical SMILES for 5-(2-methylbutanoyl)-1-prop-1-enylpyrrolidin-2-one is CC=CN1C(=O)CCC1C(=O)C(C)CC.
What is the InChIKey of 5-(2-methylbutanoyl)-1-prop-1-enylpyrrolidin-2-one?
The InChIKey is BKMKJKWEEBTGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-8-13-10(6-7-11(13)14)12(15)9(3)5-2/h4,8-10H,5-7H2,1-3H3.
What are the key properties of 5-(2-methylbutanoyl)-1-prop-1-enylpyrrolidin-2-one?
5-(2-methylbutanoyl)-1-prop-1-enylpyrrolidin-2-one has a molecular weight of 209.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutanoyl)-1-prop-1-enylpyrrolidin-2-one is sourced from PubChem (CID 131873141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).