(E)-pent-2-enedioic acid;1H-pyridin-2-one

C10H11NO5 — CID 139058194

IUPAC(E)-pent-2-enedioic acid;1H-pyridin-2-one
SMILESO=C(O)/C=C/CC(=O)O.O=c1cccc[nH]1
InChIInChI=1S/C5H5NO.C5H6O4/c7-5-3-1-2-4-6-5;6-4(7)2-1-3-5(8)9/h1-4H,(H,6,7);1-2H,3H2,(H,6,7)(H,8,9)/b;2-1+
InChIKeyHVFXEJJNVAJFFE-WLHGVMLRSA-N
MW225.20 g/mol
LogP0.48
Rot. Bonds3

About (E)-pent-2-enedioic acid;1H-pyridin-2-one

(E)-pent-2-enedioic acid;1H-pyridin-2-one (PubChem CID 139058194) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is (E)-pent-2-enedioic acid;1H-pyridin-2-one.

Molecular Properties

Compound Name(E)-pent-2-enedioic acid;1H-pyridin-2-one
PubChem CID139058194
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name(E)-pent-2-enedioic acid;1H-pyridin-2-one
SMILESO=C(O)/C=C/CC(=O)O.O=c1cccc[nH]1
InChIInChI=1S/C5H5NO.C5H6O4/c7-5-3-1-2-4-6-5;6-4(7)2-1-3-5(8)9/h1-4H,(H,6,7);1-2H,3H2,(H,6,7)(H,8,9)/b;2-1+
InChIKeyHVFXEJJNVAJFFE-WLHGVMLRSA-N
XLogP0.48
TPSA107.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-pent-2-enedioic acid;1H-pyridin-2-one?
The IUPAC name of (E)-pent-2-enedioic acid;1H-pyridin-2-one (CID 139058194) is (E)-pent-2-enedioic acid;1H-pyridin-2-one.
What is the SMILES notation for (E)-pent-2-enedioic acid;1H-pyridin-2-one?
The canonical SMILES for (E)-pent-2-enedioic acid;1H-pyridin-2-one is O=C(O)/C=C/CC(=O)O.O=c1cccc[nH]1.
What is the InChIKey of (E)-pent-2-enedioic acid;1H-pyridin-2-one?
The InChIKey is HVFXEJJNVAJFFE-WLHGVMLRSA-N. The full InChI is InChI=1S/C5H5NO.C5H6O4/c7-5-3-1-2-4-6-5;6-4(7)2-1-3-5(8)9/h1-4H,(H,6,7);1-2H,3H2,(H,6,7)(H,8,9)/b;2-1+.
What are the key properties of (E)-pent-2-enedioic acid;1H-pyridin-2-one?
(E)-pent-2-enedioic acid;1H-pyridin-2-one has a molecular weight of 225.20 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-pent-2-enedioic acid;1H-pyridin-2-one is sourced from PubChem (CID 139058194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).