(5S)-5-buta-2,3-dienylpyrrolidin-2-one

C8H11NO — CID 15420014

IUPAC(5S)-5-buta-2,3-dienylpyrrolidin-2-one
SMILESC=C=CC[C@@H]1CCC(=O)N1
InChIInChI=1S/C8H11NO/c1-2-3-4-7-5-6-8(10)9-7/h3,7H,1,4-6H2,(H,9,10)/t7-/m1/s1
InChIKeyVGUWXRZCEWJTAT-SSDOTTSWSA-N
MW137.18 g/mol
LogP1.00
Rot. Bonds2

About (5S)-5-buta-2,3-dienylpyrrolidin-2-one

(5S)-5-buta-2,3-dienylpyrrolidin-2-one (PubChem CID 15420014) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (5S)-5-buta-2,3-dienylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-buta-2,3-dienylpyrrolidin-2-one
PubChem CID15420014
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(5S)-5-buta-2,3-dienylpyrrolidin-2-one
SMILESC=C=CC[C@@H]1CCC(=O)N1
InChIInChI=1S/C8H11NO/c1-2-3-4-7-5-6-8(10)9-7/h3,7H,1,4-6H2,(H,9,10)/t7-/m1/s1
InChIKeyVGUWXRZCEWJTAT-SSDOTTSWSA-N
XLogP1.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (5S)-5-buta-2,3-dienylpyrrolidin-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 (5S)-5-buta-2,3-dienylpyrrolidin-2-one?
The IUPAC name of (5S)-5-buta-2,3-dienylpyrrolidin-2-one (CID 15420014) is (5S)-5-buta-2,3-dienylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-buta-2,3-dienylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-buta-2,3-dienylpyrrolidin-2-one is C=C=CC[C@@H]1CCC(=O)N1.
What is the InChIKey of (5S)-5-buta-2,3-dienylpyrrolidin-2-one?
The InChIKey is VGUWXRZCEWJTAT-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-3-4-7-5-6-8(10)9-7/h3,7H,1,4-6H2,(H,9,10)/t7-/m1/s1.
What are the key properties of (5S)-5-buta-2,3-dienylpyrrolidin-2-one?
(5S)-5-buta-2,3-dienylpyrrolidin-2-one has a molecular weight of 137.18 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-buta-2,3-dienylpyrrolidin-2-one is sourced from PubChem (CID 15420014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).