(Z)-2-methyl-3-(4-nitrophenyl)prop-2-enoic acid

C10H9NO4 — CID 5355433

IUPAC(Z)-2-methyl-3-(4-nitrophenyl)prop-2-enoic acid
SMILESC/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O
InChIInChI=1S/C10H9NO4/c1-7(10(12)13)6-8-2-4-9(5-3-8)11(14)15/h2-6H,1H3,(H,12,13)/b7-6-
InChIKeyAWWVCUPVXCDDHS-SREVYHEPSA-N
MW207.19 g/mol
LogP2.08
Rot. Bonds3

About (Z)-2-methyl-3-(4-nitrophenyl)prop-2-enoic acid

(Z)-2-methyl-3-(4-nitrophenyl)prop-2-enoic acid (PubChem CID 5355433) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is (Z)-2-methyl-3-(4-nitrophenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-methyl-3-(4-nitrophenyl)prop-2-enoic acid
PubChem CID5355433
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name(Z)-2-methyl-3-(4-nitrophenyl)prop-2-enoic acid
SMILESC/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O
InChIInChI=1S/C10H9NO4/c1-7(10(12)13)6-8-2-4-9(5-3-8)11(14)15/h2-6H,1H3,(H,12,13)/b7-6-
InChIKeyAWWVCUPVXCDDHS-SREVYHEPSA-N
XLogP2.08
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-3-(4-nitrophenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-methyl-3-(4-nitrophenyl)prop-2-enoic acid (CID 5355433) is (Z)-2-methyl-3-(4-nitrophenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-methyl-3-(4-nitrophenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-methyl-3-(4-nitrophenyl)prop-2-enoic acid is C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O.
What is the InChIKey of (Z)-2-methyl-3-(4-nitrophenyl)prop-2-enoic acid?
The InChIKey is AWWVCUPVXCDDHS-SREVYHEPSA-N. The full InChI is InChI=1S/C10H9NO4/c1-7(10(12)13)6-8-2-4-9(5-3-8)11(14)15/h2-6H,1H3,(H,12,13)/b7-6-.
What are the key properties of (Z)-2-methyl-3-(4-nitrophenyl)prop-2-enoic acid?
(Z)-2-methyl-3-(4-nitrophenyl)prop-2-enoic acid has a molecular weight of 207.19 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-3-(4-nitrophenyl)prop-2-enoic acid is sourced from PubChem (CID 5355433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).