5-hydroxy-5-prop-2-enyl-1-prop-2-ynylpyrrol-2-one

C10H11NO2 — CID 142701299

IUPAC5-hydroxy-5-prop-2-enyl-1-prop-2-ynylpyrrol-2-one
SMILESC#CCN1C(=O)C=CC1(O)CC=C
InChIInChI=1S/C10H11NO2/c1-3-6-10(13)7-5-9(12)11(10)8-4-2/h2-3,5,7,13H,1,6,8H2
InChIKeyXUEBJFVVKAONLQ-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.28
Rot. Bonds3

About 5-hydroxy-5-prop-2-enyl-1-prop-2-ynylpyrrol-2-one

5-hydroxy-5-prop-2-enyl-1-prop-2-ynylpyrrol-2-one (PubChem CID 142701299) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 5-hydroxy-5-prop-2-enyl-1-prop-2-ynylpyrrol-2-one.

Molecular Properties

Compound Name5-hydroxy-5-prop-2-enyl-1-prop-2-ynylpyrrol-2-one
PubChem CID142701299
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name5-hydroxy-5-prop-2-enyl-1-prop-2-ynylpyrrol-2-one
SMILESC#CCN1C(=O)C=CC1(O)CC=C
InChIInChI=1S/C10H11NO2/c1-3-6-10(13)7-5-9(12)11(10)8-4-2/h2-3,5,7,13H,1,6,8H2
InChIKeyXUEBJFVVKAONLQ-UHFFFAOYSA-N
XLogP0.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-hydroxy-5-prop-2-enyl-1-prop-2-ynylpyrrol-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

Related Compounds

8a-Hydroxy-5,8-dihydroindolizin-3-one
CID 44160086
9a-hydroxy-6,9-dihydro-5H-pyrrolo[1,2-a]azepin-3-one
CID 72711924
5-Hydroxy-5-methyl-1-prop-2-ynylpyrrol-2-one
CID 154691420
5-Hydroxy-1,5-bis(prop-2-enyl)pyrrol-2-one
CID 72711922
1-But-3-enyl-5-hydroxy-5-prop-2-enylpyrrol-2-one
CID 102584001

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-prop-2-enyl-1-prop-2-ynylpyrrol-2-one?
The IUPAC name of 5-hydroxy-5-prop-2-enyl-1-prop-2-ynylpyrrol-2-one (CID 142701299) is 5-hydroxy-5-prop-2-enyl-1-prop-2-ynylpyrrol-2-one.
What is the SMILES notation for 5-hydroxy-5-prop-2-enyl-1-prop-2-ynylpyrrol-2-one?
The canonical SMILES for 5-hydroxy-5-prop-2-enyl-1-prop-2-ynylpyrrol-2-one is C#CCN1C(=O)C=CC1(O)CC=C.
What is the InChIKey of 5-hydroxy-5-prop-2-enyl-1-prop-2-ynylpyrrol-2-one?
The InChIKey is XUEBJFVVKAONLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-3-6-10(13)7-5-9(12)11(10)8-4-2/h2-3,5,7,13H,1,6,8H2.
What are the key properties of 5-hydroxy-5-prop-2-enyl-1-prop-2-ynylpyrrol-2-one?
5-hydroxy-5-prop-2-enyl-1-prop-2-ynylpyrrol-2-one has a molecular weight of 177.20 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-prop-2-enyl-1-prop-2-ynylpyrrol-2-one is sourced from PubChem (CID 142701299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).