5-methylidene-1-propan-2-ylpyrrolidin-2-one

C8H13NO — CID 23088889

IUPAC5-methylidene-1-propan-2-ylpyrrolidin-2-one
SMILESC=C1CCC(=O)N1C(C)C
InChIInChI=1S/C8H13NO/c1-6(2)9-7(3)4-5-8(9)10/h6H,3-5H2,1-2H3
InChIKeyYNQNQJPLBDEVRW-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.53
Rot. Bonds1

About 5-methylidene-1-propan-2-ylpyrrolidin-2-one

5-methylidene-1-propan-2-ylpyrrolidin-2-one (PubChem CID 23088889) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-methylidene-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-methylidene-1-propan-2-ylpyrrolidin-2-one
PubChem CID23088889
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name5-methylidene-1-propan-2-ylpyrrolidin-2-one
SMILESC=C1CCC(=O)N1C(C)C
InChIInChI=1S/C8H13NO/c1-6(2)9-7(3)4-5-8(9)10/h6H,3-5H2,1-2H3
InChIKeyYNQNQJPLBDEVRW-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 5-methylidene-1-propan-2-ylpyrrolidin-2-one (CID 23088889) is 5-methylidene-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 5-methylidene-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 5-methylidene-1-propan-2-ylpyrrolidin-2-one is C=C1CCC(=O)N1C(C)C.
What is the InChIKey of 5-methylidene-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is YNQNQJPLBDEVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(2)9-7(3)4-5-8(9)10/h6H,3-5H2,1-2H3.
What are the key properties of 5-methylidene-1-propan-2-ylpyrrolidin-2-one?
5-methylidene-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 23088889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).