1-ethenyl-3-propan-2-ylpyrrolidin-2-one

C9H15NO — CID 102267367

IUPAC1-ethenyl-3-propan-2-ylpyrrolidin-2-one
SMILESC=CN1CCC(C(C)C)C1=O
InChIInChI=1S/C9H15NO/c1-4-10-6-5-8(7(2)3)9(10)11/h4,7-8H,1,5-6H2,2-3H3
InChIKeyKRLSJKDXPISQGY-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.63
Rot. Bonds2

About 1-ethenyl-3-propan-2-ylpyrrolidin-2-one

1-ethenyl-3-propan-2-ylpyrrolidin-2-one (PubChem CID 102267367) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-ethenyl-3-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-ethenyl-3-propan-2-ylpyrrolidin-2-one
PubChem CID102267367
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-ethenyl-3-propan-2-ylpyrrolidin-2-one
SMILESC=CN1CCC(C(C)C)C1=O
InChIInChI=1S/C9H15NO/c1-4-10-6-5-8(7(2)3)9(10)11/h4,7-8H,1,5-6H2,2-3H3
InChIKeyKRLSJKDXPISQGY-UHFFFAOYSA-N
XLogP1.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-ethenyl-3-propan-2-ylpyrrolidin-2-one (CID 102267367) is 1-ethenyl-3-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-ethenyl-3-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-ethenyl-3-propan-2-ylpyrrolidin-2-one is C=CN1CCC(C(C)C)C1=O.
What is the InChIKey of 1-ethenyl-3-propan-2-ylpyrrolidin-2-one?
The InChIKey is KRLSJKDXPISQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-10-6-5-8(7(2)3)9(10)11/h4,7-8H,1,5-6H2,2-3H3.
What are the key properties of 1-ethenyl-3-propan-2-ylpyrrolidin-2-one?
1-ethenyl-3-propan-2-ylpyrrolidin-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 102267367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).