1-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydroxy-2H-pyrrol-5-one

C10H13NO2 — CID 155313664

IUPAC1-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydroxy-2H-pyrrol-5-one
SMILESC/C=C\C(=C/C)N1C(=O)C=CC1O
InChIInChI=1S/C10H13NO2/c1-3-5-8(4-2)11-9(12)6-7-10(11)13/h3-7,9,12H,1-2H3/b5-3-,8-4+
InChIKeyKZMRNICWPXMHJO-VOGDQUTBSA-N
MW179.22 g/mol
LogP1.18
Rot. Bonds2

About 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydroxy-2H-pyrrol-5-one

1-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydroxy-2H-pyrrol-5-one (PubChem CID 155313664) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydroxy-2H-pyrrol-5-one
PubChem CID155313664
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydroxy-2H-pyrrol-5-one
SMILESC/C=C\C(=C/C)N1C(=O)C=CC1O
InChIInChI=1S/C10H13NO2/c1-3-5-8(4-2)11-9(12)6-7-10(11)13/h3-7,9,12H,1-2H3/b5-3-,8-4+
InChIKeyKZMRNICWPXMHJO-VOGDQUTBSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydroxy-2H-pyrrol-5-one (CID 155313664) is 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydroxy-2H-pyrrol-5-one is C/C=C\C(=C/C)N1C(=O)C=CC1O.
What is the InChIKey of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydroxy-2H-pyrrol-5-one?
The InChIKey is KZMRNICWPXMHJO-VOGDQUTBSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-5-8(4-2)11-9(12)6-7-10(11)13/h3-7,9,12H,1-2H3/b5-3-,8-4+.
What are the key properties of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydroxy-2H-pyrrol-5-one?
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydroxy-2H-pyrrol-5-one has a molecular weight of 179.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 155313664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).