3-methyl-1-prop-1-en-2-ylpyrrolidin-2-one

C8H13NO — CID 54511673

IUPAC3-methyl-1-prop-1-en-2-ylpyrrolidin-2-one
SMILESC=C(C)N1CCC(C)C1=O
InChIInChI=1S/C8H13NO/c1-6(2)9-5-4-7(3)8(9)10/h7H,1,4-5H2,2-3H3
InChIKeyYJOQPULQOSUIMH-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.39
Rot. Bonds1

About 3-methyl-1-prop-1-en-2-ylpyrrolidin-2-one

3-methyl-1-prop-1-en-2-ylpyrrolidin-2-one (PubChem CID 54511673) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-methyl-1-prop-1-en-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-methyl-1-prop-1-en-2-ylpyrrolidin-2-one
PubChem CID54511673
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-methyl-1-prop-1-en-2-ylpyrrolidin-2-one
SMILESC=C(C)N1CCC(C)C1=O
InChIInChI=1S/C8H13NO/c1-6(2)9-5-4-7(3)8(9)10/h7H,1,4-5H2,2-3H3
InChIKeyYJOQPULQOSUIMH-UHFFFAOYSA-N
XLogP1.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-prop-1-en-2-ylpyrrolidin-2-one?
The IUPAC name of 3-methyl-1-prop-1-en-2-ylpyrrolidin-2-one (CID 54511673) is 3-methyl-1-prop-1-en-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-methyl-1-prop-1-en-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-methyl-1-prop-1-en-2-ylpyrrolidin-2-one is C=C(C)N1CCC(C)C1=O.
What is the InChIKey of 3-methyl-1-prop-1-en-2-ylpyrrolidin-2-one?
The InChIKey is YJOQPULQOSUIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(2)9-5-4-7(3)8(9)10/h7H,1,4-5H2,2-3H3.
What are the key properties of 3-methyl-1-prop-1-en-2-ylpyrrolidin-2-one?
3-methyl-1-prop-1-en-2-ylpyrrolidin-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-prop-1-en-2-ylpyrrolidin-2-one is sourced from PubChem (CID 54511673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).