(5R)-5-ethyl-5-prop-2-enylpyrrolidin-2-one

C9H15NO — CID 167119867

IUPAC(5R)-5-ethyl-5-prop-2-enylpyrrolidin-2-one
SMILESC=CC[C@@]1(CC)CCC(=O)N1
InChIInChI=1S/C9H15NO/c1-3-6-9(4-2)7-5-8(11)10-9/h3H,1,4-7H2,2H3,(H,10,11)/t9-/m0/s1
InChIKeyYZXHIWOHGCXTLI-VIFPVBQESA-N
MW153.22 g/mol
LogP1.62
Rot. Bonds3

About (5R)-5-ethyl-5-prop-2-enylpyrrolidin-2-one

(5R)-5-ethyl-5-prop-2-enylpyrrolidin-2-one (PubChem CID 167119867) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (5R)-5-ethyl-5-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-ethyl-5-prop-2-enylpyrrolidin-2-one
PubChem CID167119867
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(5R)-5-ethyl-5-prop-2-enylpyrrolidin-2-one
SMILESC=CC[C@@]1(CC)CCC(=O)N1
InChIInChI=1S/C9H15NO/c1-3-6-9(4-2)7-5-8(11)10-9/h3H,1,4-7H2,2H3,(H,10,11)/t9-/m0/s1
InChIKeyYZXHIWOHGCXTLI-VIFPVBQESA-N
XLogP1.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5R)-5-ethyl-5-prop-2-enylpyrrolidin-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 (5R)-5-ethyl-5-prop-2-enylpyrrolidin-2-one?
The IUPAC name of (5R)-5-ethyl-5-prop-2-enylpyrrolidin-2-one (CID 167119867) is (5R)-5-ethyl-5-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for (5R)-5-ethyl-5-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for (5R)-5-ethyl-5-prop-2-enylpyrrolidin-2-one is C=CC[C@@]1(CC)CCC(=O)N1.
What is the InChIKey of (5R)-5-ethyl-5-prop-2-enylpyrrolidin-2-one?
The InChIKey is YZXHIWOHGCXTLI-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15NO/c1-3-6-9(4-2)7-5-8(11)10-9/h3H,1,4-7H2,2H3,(H,10,11)/t9-/m0/s1.
What are the key properties of (5R)-5-ethyl-5-prop-2-enylpyrrolidin-2-one?
(5R)-5-ethyl-5-prop-2-enylpyrrolidin-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-5-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 167119867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).