(Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid

C11H8N2O3 — CID 2554781

IUPAC(Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid
SMILESO=C(O)/C=C\c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C11H8N2O3/c14-10(15)6-5-9-11(16)13-8-4-2-1-3-7(8)12-9/h1-6H,(H,13,16)(H,14,15)/b6-5-
InChIKeyHMYGHKLPRIZCFM-WAYWQWQTSA-N
MW216.20 g/mol
LogP1.02
Rot. Bonds2

About (Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid

(Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid (PubChem CID 2554781) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is (Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid
PubChem CID2554781
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name(Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid
SMILESO=C(O)/C=C\c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C11H8N2O3/c14-10(15)6-5-9-11(16)13-8-4-2-1-3-7(8)12-9/h1-6H,(H,13,16)(H,14,15)/b6-5-
InChIKeyHMYGHKLPRIZCFM-WAYWQWQTSA-N
XLogP1.02
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-benzimidazol-2-yl)prop-2-enoic acid
CID 4702151
3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one
CID 137037919
3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one
CID 2975704
3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-quinoxalin-2-one
CID 7150501
3-(2-hydroxy-3,3-dimethylbut-1-enyl)-1H-quinoxalin-2-one
CID 702935
3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135713003
3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135623432
3-[(E)-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-oxoprop-1-enyl]-1H-quinoxalin-2-one
CID 11545851
3-[2-[4-(dimethylamino)phenyl]ethenyl]-1H-quinoxalin-2-one
CID 91083494
3-[(Z)-2-hydroxy-2-naphthalen-2-ylethenyl]-1H-quinoxalin-2-one
CID 135612995
3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one
CID 137201303
3-[3-oxo-3-[4-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]prop-1-enyl]-1H-quinoxalin-2-one
CID 69311756

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid (CID 2554781) is (Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid is O=C(O)/C=C\c1nc2ccccc2[nH]c1=O.
What is the InChIKey of (Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid?
The InChIKey is HMYGHKLPRIZCFM-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-10(15)6-5-9-11(16)13-8-4-2-1-3-7(8)12-9/h1-6H,(H,13,16)(H,14,15)/b6-5-.
What are the key properties of (Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid?
(Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid has a molecular weight of 216.20 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid is sourced from PubChem (CID 2554781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).