5-hydroxy-1,5-bis(prop-2-enyl)pyrrol-2-one

C10H13NO2 — CID 72711922

IUPAC5-hydroxy-1,5-bis(prop-2-enyl)pyrrol-2-one
SMILESC=CCN1C(=O)C=CC1(O)CC=C
InChIInChI=1S/C10H13NO2/c1-3-6-10(13)7-5-9(12)11(10)8-4-2/h3-5,7,13H,1-2,6,8H2
InChIKeyBMJAHVHSPBEKKU-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.84
Rot. Bonds4

About 5-hydroxy-1,5-bis(prop-2-enyl)pyrrol-2-one

5-hydroxy-1,5-bis(prop-2-enyl)pyrrol-2-one (PubChem CID 72711922) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-hydroxy-1,5-bis(prop-2-enyl)pyrrol-2-one.

Molecular Properties

Compound Name5-hydroxy-1,5-bis(prop-2-enyl)pyrrol-2-one
PubChem CID72711922
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name5-hydroxy-1,5-bis(prop-2-enyl)pyrrol-2-one
SMILESC=CCN1C(=O)C=CC1(O)CC=C
InChIInChI=1S/C10H13NO2/c1-3-6-10(13)7-5-9(12)11(10)8-4-2/h3-5,7,13H,1-2,6,8H2
InChIKeyBMJAHVHSPBEKKU-UHFFFAOYSA-N
XLogP0.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,5-bis(prop-2-enyl)pyrrol-2-one?
The IUPAC name of 5-hydroxy-1,5-bis(prop-2-enyl)pyrrol-2-one (CID 72711922) is 5-hydroxy-1,5-bis(prop-2-enyl)pyrrol-2-one.
What is the SMILES notation for 5-hydroxy-1,5-bis(prop-2-enyl)pyrrol-2-one?
The canonical SMILES for 5-hydroxy-1,5-bis(prop-2-enyl)pyrrol-2-one is C=CCN1C(=O)C=CC1(O)CC=C.
What is the InChIKey of 5-hydroxy-1,5-bis(prop-2-enyl)pyrrol-2-one?
The InChIKey is BMJAHVHSPBEKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-6-10(13)7-5-9(12)11(10)8-4-2/h3-5,7,13H,1-2,6,8H2.
What are the key properties of 5-hydroxy-1,5-bis(prop-2-enyl)pyrrol-2-one?
5-hydroxy-1,5-bis(prop-2-enyl)pyrrol-2-one has a molecular weight of 179.22 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,5-bis(prop-2-enyl)pyrrol-2-one is sourced from PubChem (CID 72711922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).