methyl (Z)-2-nitro-3-phenylprop-2-enoate

C10H9NO4 — CID 2207893

IUPACmethyl (Z)-2-nitro-3-phenylprop-2-enoate
SMILESCOC(=O)/C(=C/c1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C10H9NO4/c1-15-10(12)9(11(13)14)7-8-5-3-2-4-6-8/h2-7H,1H3/b9-7-
InChIKeyOXXLRSFTMYPKRD-CLFYSBASSA-N
MW207.19 g/mol
LogP1.48
Rot. Bonds3

About methyl (Z)-2-nitro-3-phenylprop-2-enoate

methyl (Z)-2-nitro-3-phenylprop-2-enoate (PubChem CID 2207893) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is methyl (Z)-2-nitro-3-phenylprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-nitro-3-phenylprop-2-enoate
PubChem CID2207893
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Namemethyl (Z)-2-nitro-3-phenylprop-2-enoate
SMILESCOC(=O)/C(=C/c1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C10H9NO4/c1-15-10(12)9(11(13)14)7-8-5-3-2-4-6-8/h2-7H,1H3/b9-7-
InChIKeyOXXLRSFTMYPKRD-CLFYSBASSA-N
XLogP1.48
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze methyl (Z)-2-nitro-3-phenylprop-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

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-nitro-3-phenylprop-2-enoate?
The IUPAC name of methyl (Z)-2-nitro-3-phenylprop-2-enoate (CID 2207893) is methyl (Z)-2-nitro-3-phenylprop-2-enoate.
What is the SMILES notation for methyl (Z)-2-nitro-3-phenylprop-2-enoate?
The canonical SMILES for methyl (Z)-2-nitro-3-phenylprop-2-enoate is COC(=O)/C(=C/c1ccccc1)[N+](=O)[O-].
What is the InChIKey of methyl (Z)-2-nitro-3-phenylprop-2-enoate?
The InChIKey is OXXLRSFTMYPKRD-CLFYSBASSA-N. The full InChI is InChI=1S/C10H9NO4/c1-15-10(12)9(11(13)14)7-8-5-3-2-4-6-8/h2-7H,1H3/b9-7-.
What are the key properties of methyl (Z)-2-nitro-3-phenylprop-2-enoate?
methyl (Z)-2-nitro-3-phenylprop-2-enoate has a molecular weight of 207.19 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-nitro-3-phenylprop-2-enoate is sourced from PubChem (CID 2207893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).