1-[(2E,4E)-4-hydroxyhexa-2,4-dien-2-yl]pyrrole-2,5-dione

C10H11NO3 — CID 142195833

IUPAC1-[(2E,4E)-4-hydroxyhexa-2,4-dien-2-yl]pyrrole-2,5-dione
SMILESC/C=C(O)\C=C(/C)N1C(=O)C=CC1=O
InChIInChI=1S/C10H11NO3/c1-3-8(12)6-7(2)11-9(13)4-5-10(11)14/h3-6,12H,1-2H3/b7-6+,8-3+
InChIKeyDUFXCYLTCBYGCQ-KQYLTSGPSA-N
MW193.20 g/mol
LogP1.28
Rot. Bonds2

About 1-[(2E,4E)-4-hydroxyhexa-2,4-dien-2-yl]pyrrole-2,5-dione

1-[(2E,4E)-4-hydroxyhexa-2,4-dien-2-yl]pyrrole-2,5-dione (PubChem CID 142195833) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 1-[(2E,4E)-4-hydroxyhexa-2,4-dien-2-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(2E,4E)-4-hydroxyhexa-2,4-dien-2-yl]pyrrole-2,5-dione
PubChem CID142195833
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name1-[(2E,4E)-4-hydroxyhexa-2,4-dien-2-yl]pyrrole-2,5-dione
SMILESC/C=C(O)\C=C(/C)N1C(=O)C=CC1=O
InChIInChI=1S/C10H11NO3/c1-3-8(12)6-7(2)11-9(13)4-5-10(11)14/h3-6,12H,1-2H3/b7-6+,8-3+
InChIKeyDUFXCYLTCBYGCQ-KQYLTSGPSA-N
XLogP1.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4E)-4-hydroxyhexa-2,4-dien-2-yl]pyrrole-2,5-dione?
The IUPAC name of 1-[(2E,4E)-4-hydroxyhexa-2,4-dien-2-yl]pyrrole-2,5-dione (CID 142195833) is 1-[(2E,4E)-4-hydroxyhexa-2,4-dien-2-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(2E,4E)-4-hydroxyhexa-2,4-dien-2-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(2E,4E)-4-hydroxyhexa-2,4-dien-2-yl]pyrrole-2,5-dione is C/C=C(O)\C=C(/C)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[(2E,4E)-4-hydroxyhexa-2,4-dien-2-yl]pyrrole-2,5-dione?
The InChIKey is DUFXCYLTCBYGCQ-KQYLTSGPSA-N. The full InChI is InChI=1S/C10H11NO3/c1-3-8(12)6-7(2)11-9(13)4-5-10(11)14/h3-6,12H,1-2H3/b7-6+,8-3+.
What are the key properties of 1-[(2E,4E)-4-hydroxyhexa-2,4-dien-2-yl]pyrrole-2,5-dione?
1-[(2E,4E)-4-hydroxyhexa-2,4-dien-2-yl]pyrrole-2,5-dione has a molecular weight of 193.20 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4E)-4-hydroxyhexa-2,4-dien-2-yl]pyrrole-2,5-dione is sourced from PubChem (CID 142195833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).