methyl (Z)-2-hydroxy-3-(2-nitrophenyl)prop-2-enoate

C10H9NO5 — CID 164745403

IUPACmethyl (Z)-2-hydroxy-3-(2-nitrophenyl)prop-2-enoate
SMILESCOC(=O)/C(O)=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H9NO5/c1-16-10(13)9(12)6-7-4-2-3-5-8(7)11(14)15/h2-6,12H,1H3/b9-6-
InChIKeyAALRAHHXHLFNPR-TWGQIWQCSA-N
MW223.18 g/mol
LogP1.67
Rot. Bonds3

About methyl (Z)-2-hydroxy-3-(2-nitrophenyl)prop-2-enoate

methyl (Z)-2-hydroxy-3-(2-nitrophenyl)prop-2-enoate (PubChem CID 164745403) has the molecular formula C10H9NO5 and a molecular weight of 223.18 g/mol. Its IUPAC name is methyl (Z)-2-hydroxy-3-(2-nitrophenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-hydroxy-3-(2-nitrophenyl)prop-2-enoate
PubChem CID164745403
Molecular FormulaC10H9NO5
Molecular Weight223.18 g/mol
Exact Mass223.05
IUPAC Namemethyl (Z)-2-hydroxy-3-(2-nitrophenyl)prop-2-enoate
SMILESCOC(=O)/C(O)=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H9NO5/c1-16-10(13)9(12)6-7-4-2-3-5-8(7)11(14)15/h2-6,12H,1H3/b9-6-
InChIKeyAALRAHHXHLFNPR-TWGQIWQCSA-N
XLogP1.67
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl (Z)-2-hydroxy-3-(2-nitrophenyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2E)-2-[(2-nitrophenyl)methylidene]-3-oxobutanoate
CID 2259865
methyl (Z)-2-[[[(Z)-2-methoxycarbonyl-3-(2-nitrophenyl)prop-2-enyl]disulfanyl]methyl]-3-(2-nitrophenyl)prop-2-enoate
CID 24773871
methyl (E)-2-(3-fluorophenyl)-3-(2-nitrophenyl)prop-2-enoate
CID 10542304
3-[(2-nitrophenyl)methylidene]pentane-2,4-dione
CID 5077888
(E)-2-methyl-3-(2-nitrophenyl)-1-phenylprop-2-en-1-one
CID 12710024
ethyl 3-(2-nitrophenyl)-2-phenylprop-2-enoate
CID 54552089
methyl 2-nitro-3-phenylprop-2-enoate
CID 2841636
2-(2-methoxyphenyl)-3-(2-nitrophenyl)prop-2-enoic acid
CID 54099002
2-[(2-nitrophenyl)methylidene]-3-oxopentanoic acid
CID 57160343
(2E)-2-[(2-nitrophenyl)methylidene]-1-phenylbutane-1,3-dione
CID 6477117
ethyl (E)-2-benzoyl-3-(2-nitrophenyl)prop-2-enoate
CID 6421997
ethyl (Z)-2-fluoro-3-(2-nitrophenyl)prop-2-enoate
CID 121222967

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-hydroxy-3-(2-nitrophenyl)prop-2-enoate?
The IUPAC name of methyl (Z)-2-hydroxy-3-(2-nitrophenyl)prop-2-enoate (CID 164745403) is methyl (Z)-2-hydroxy-3-(2-nitrophenyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-hydroxy-3-(2-nitrophenyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-hydroxy-3-(2-nitrophenyl)prop-2-enoate is COC(=O)/C(O)=C/c1ccccc1[N+](=O)[O-].
What is the InChIKey of methyl (Z)-2-hydroxy-3-(2-nitrophenyl)prop-2-enoate?
The InChIKey is AALRAHHXHLFNPR-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H9NO5/c1-16-10(13)9(12)6-7-4-2-3-5-8(7)11(14)15/h2-6,12H,1H3/b9-6-.
What are the key properties of methyl (Z)-2-hydroxy-3-(2-nitrophenyl)prop-2-enoate?
methyl (Z)-2-hydroxy-3-(2-nitrophenyl)prop-2-enoate has a molecular weight of 223.18 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-hydroxy-3-(2-nitrophenyl)prop-2-enoate is sourced from PubChem (CID 164745403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).