1-but-3-enyl-5-hydroxy-5-prop-2-enylpyrrol-2-one

C11H15NO2 — CID 102584001

IUPAC1-but-3-enyl-5-hydroxy-5-prop-2-enylpyrrol-2-one
SMILESC=CCCN1C(=O)C=CC1(O)CC=C
InChIInChI=1S/C11H15NO2/c1-3-5-9-12-10(13)6-8-11(12,14)7-4-2/h3-4,6,8,14H,1-2,5,7,9H2
InChIKeyVUISYRGXFFKEBF-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.23
Rot. Bonds5

About 1-but-3-enyl-5-hydroxy-5-prop-2-enylpyrrol-2-one

1-but-3-enyl-5-hydroxy-5-prop-2-enylpyrrol-2-one (PubChem CID 102584001) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-but-3-enyl-5-hydroxy-5-prop-2-enylpyrrol-2-one.

Molecular Properties

Compound Name1-but-3-enyl-5-hydroxy-5-prop-2-enylpyrrol-2-one
PubChem CID102584001
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-but-3-enyl-5-hydroxy-5-prop-2-enylpyrrol-2-one
SMILESC=CCCN1C(=O)C=CC1(O)CC=C
InChIInChI=1S/C11H15NO2/c1-3-5-9-12-10(13)6-8-11(12,14)7-4-2/h3-4,6,8,14H,1-2,5,7,9H2
InChIKeyVUISYRGXFFKEBF-UHFFFAOYSA-N
XLogP1.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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5-Hydroxy-5-prop-2-enyl-1-prop-2-ynylpyrrol-2-one
CID 142701299
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CID 154691411
1-Ethyl-5-hydroxy-5-methylpyrrol-2-one
CID 164781888
5-Hydroxy-1-(3-hydroxypropyl)-5-methylpyrrol-2-one
CID 44472128
5-Hydroxy-1,5-bis(prop-2-enyl)pyrrol-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-5-hydroxy-5-prop-2-enylpyrrol-2-one?
The IUPAC name of 1-but-3-enyl-5-hydroxy-5-prop-2-enylpyrrol-2-one (CID 102584001) is 1-but-3-enyl-5-hydroxy-5-prop-2-enylpyrrol-2-one.
What is the SMILES notation for 1-but-3-enyl-5-hydroxy-5-prop-2-enylpyrrol-2-one?
The canonical SMILES for 1-but-3-enyl-5-hydroxy-5-prop-2-enylpyrrol-2-one is C=CCCN1C(=O)C=CC1(O)CC=C.
What is the InChIKey of 1-but-3-enyl-5-hydroxy-5-prop-2-enylpyrrol-2-one?
The InChIKey is VUISYRGXFFKEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-5-9-12-10(13)6-8-11(12,14)7-4-2/h3-4,6,8,14H,1-2,5,7,9H2.
What are the key properties of 1-but-3-enyl-5-hydroxy-5-prop-2-enylpyrrol-2-one?
1-but-3-enyl-5-hydroxy-5-prop-2-enylpyrrol-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-5-hydroxy-5-prop-2-enylpyrrol-2-one is sourced from PubChem (CID 102584001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).