4-ethenyl-2-hydroxy-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one

C10H13NO2 — CID 155260879

IUPAC4-ethenyl-2-hydroxy-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
SMILESC=CC1=C(/C=C\C)C(O)N(C)C1=O
InChIInChI=1S/C10H13NO2/c1-4-6-8-7(5-2)9(12)11(3)10(8)13/h4-6,10,13H,2H2,1,3H3/b6-4-
InChIKeyOVIYYLNDNLEDTB-XQRVVYSFSA-N
MW179.22 g/mol
LogP0.84
Rot. Bonds2

About 4-ethenyl-2-hydroxy-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one

4-ethenyl-2-hydroxy-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one (PubChem CID 155260879) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-ethenyl-2-hydroxy-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-ethenyl-2-hydroxy-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
PubChem CID155260879
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4-ethenyl-2-hydroxy-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
SMILESC=CC1=C(/C=C\C)C(O)N(C)C1=O
InChIInChI=1S/C10H13NO2/c1-4-6-8-7(5-2)9(12)11(3)10(8)13/h4-6,10,13H,2H2,1,3H3/b6-4-
InChIKeyOVIYYLNDNLEDTB-XQRVVYSFSA-N
XLogP0.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-hydroxy-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
The IUPAC name of 4-ethenyl-2-hydroxy-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one (CID 155260879) is 4-ethenyl-2-hydroxy-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one.
What is the SMILES notation for 4-ethenyl-2-hydroxy-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
The canonical SMILES for 4-ethenyl-2-hydroxy-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one is C=CC1=C(/C=C\C)C(O)N(C)C1=O.
What is the InChIKey of 4-ethenyl-2-hydroxy-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
The InChIKey is OVIYYLNDNLEDTB-XQRVVYSFSA-N. The full InChI is InChI=1S/C10H13NO2/c1-4-6-8-7(5-2)9(12)11(3)10(8)13/h4-6,10,13H,2H2,1,3H3/b6-4-.
What are the key properties of 4-ethenyl-2-hydroxy-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
4-ethenyl-2-hydroxy-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one has a molecular weight of 179.22 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-hydroxy-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one is sourced from PubChem (CID 155260879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).