(4S)-1-methyl-4-prop-1-en-2-ylpyrrolidin-2-one

C8H13NO — CID 146560714

IUPAC(4S)-1-methyl-4-prop-1-en-2-ylpyrrolidin-2-one
SMILESC=C(C)[C@@H]1CC(=O)N(C)C1
InChIInChI=1S/C8H13NO/c1-6(2)7-4-8(10)9(3)5-7/h7H,1,4-5H2,2-3H3/t7-/m1/s1
InChIKeyYAWUZMDAIYHBCA-SSDOTTSWSA-N
MW139.20 g/mol
LogP1.04
Rot. Bonds1

About (4S)-1-methyl-4-prop-1-en-2-ylpyrrolidin-2-one

(4S)-1-methyl-4-prop-1-en-2-ylpyrrolidin-2-one (PubChem CID 146560714) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (4S)-1-methyl-4-prop-1-en-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-methyl-4-prop-1-en-2-ylpyrrolidin-2-one
PubChem CID146560714
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(4S)-1-methyl-4-prop-1-en-2-ylpyrrolidin-2-one
SMILESC=C(C)[C@@H]1CC(=O)N(C)C1
InChIInChI=1S/C8H13NO/c1-6(2)7-4-8(10)9(3)5-7/h7H,1,4-5H2,2-3H3/t7-/m1/s1
InChIKeyYAWUZMDAIYHBCA-SSDOTTSWSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-methyl-4-prop-1-en-2-ylpyrrolidin-2-one?
The IUPAC name of (4S)-1-methyl-4-prop-1-en-2-ylpyrrolidin-2-one (CID 146560714) is (4S)-1-methyl-4-prop-1-en-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4S)-1-methyl-4-prop-1-en-2-ylpyrrolidin-2-one?
The canonical SMILES for (4S)-1-methyl-4-prop-1-en-2-ylpyrrolidin-2-one is C=C(C)[C@@H]1CC(=O)N(C)C1.
What is the InChIKey of (4S)-1-methyl-4-prop-1-en-2-ylpyrrolidin-2-one?
The InChIKey is YAWUZMDAIYHBCA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(2)7-4-8(10)9(3)5-7/h7H,1,4-5H2,2-3H3/t7-/m1/s1.
What are the key properties of (4S)-1-methyl-4-prop-1-en-2-ylpyrrolidin-2-one?
(4S)-1-methyl-4-prop-1-en-2-ylpyrrolidin-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-4-prop-1-en-2-ylpyrrolidin-2-one is sourced from PubChem (CID 146560714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).