(4R)-4-(2-methylprop-2-enyl)pyrrolidin-2-one

C8H13NO — CID 66729901

IUPAC(4R)-4-(2-methylprop-2-enyl)pyrrolidin-2-one
SMILESC=C(C)C[C@H]1CNC(=O)C1
InChIInChI=1S/C8H13NO/c1-6(2)3-7-4-8(10)9-5-7/h7H,1,3-5H2,2H3,(H,9,10)/t7-/m1/s1
InChIKeyTYWMDTUBEIQCLQ-SSDOTTSWSA-N
MW139.20 g/mol
LogP1.09
Rot. Bonds2

About (4R)-4-(2-methylprop-2-enyl)pyrrolidin-2-one

(4R)-4-(2-methylprop-2-enyl)pyrrolidin-2-one (PubChem CID 66729901) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (4R)-4-(2-methylprop-2-enyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(2-methylprop-2-enyl)pyrrolidin-2-one
PubChem CID66729901
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(4R)-4-(2-methylprop-2-enyl)pyrrolidin-2-one
SMILESC=C(C)C[C@H]1CNC(=O)C1
InChIInChI=1S/C8H13NO/c1-6(2)3-7-4-8(10)9-5-7/h7H,1,3-5H2,2H3,(H,9,10)/t7-/m1/s1
InChIKeyTYWMDTUBEIQCLQ-SSDOTTSWSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4R)-4-(2-methylprop-2-enyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-methylprop-2-enyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(2-methylprop-2-enyl)pyrrolidin-2-one (CID 66729901) is (4R)-4-(2-methylprop-2-enyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(2-methylprop-2-enyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(2-methylprop-2-enyl)pyrrolidin-2-one is C=C(C)C[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-(2-methylprop-2-enyl)pyrrolidin-2-one?
The InChIKey is TYWMDTUBEIQCLQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(2)3-7-4-8(10)9-5-7/h7H,1,3-5H2,2H3,(H,9,10)/t7-/m1/s1.
What are the key properties of (4R)-4-(2-methylprop-2-enyl)pyrrolidin-2-one?
(4R)-4-(2-methylprop-2-enyl)pyrrolidin-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-methylprop-2-enyl)pyrrolidin-2-one is sourced from PubChem (CID 66729901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).