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

C16H15NO2 — CID 10999567

IUPACmethyl (Z)-3-anilino-3-phenylprop-2-enoate
SMILESCOC(=O)/C=C(\Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO2/c1-19-16(18)12-15(13-8-4-2-5-9-13)17-14-10-6-3-7-11-14/h2-12,17H,1H3/b15-12-
InChIKeyPIBAZJRLQNJFLJ-QINSGFPZSA-N
MW253.30 g/mol
LogP3.31
Rot. Bonds4

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

methyl (Z)-3-anilino-3-phenylprop-2-enoate (PubChem CID 10999567) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl (Z)-3-anilino-3-phenylprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-anilino-3-phenylprop-2-enoate
PubChem CID10999567
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Namemethyl (Z)-3-anilino-3-phenylprop-2-enoate
SMILESCOC(=O)/C=C(\Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO2/c1-19-16(18)12-15(13-8-4-2-5-9-13)17-14-10-6-3-7-11-14/h2-12,17H,1H3/b15-12-
InChIKeyPIBAZJRLQNJFLJ-QINSGFPZSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
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 methyl (Z)-3-anilino-3-phenylprop-2-enoate?
The IUPAC name of methyl (Z)-3-anilino-3-phenylprop-2-enoate (CID 10999567) is methyl (Z)-3-anilino-3-phenylprop-2-enoate.
What is the SMILES notation for methyl (Z)-3-anilino-3-phenylprop-2-enoate?
The canonical SMILES for methyl (Z)-3-anilino-3-phenylprop-2-enoate is COC(=O)/C=C(\Nc1ccccc1)c1ccccc1.
What is the InChIKey of methyl (Z)-3-anilino-3-phenylprop-2-enoate?
The InChIKey is PIBAZJRLQNJFLJ-QINSGFPZSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-16(18)12-15(13-8-4-2-5-9-13)17-14-10-6-3-7-11-14/h2-12,17H,1H3/b15-12-.
What are the key properties of methyl (Z)-3-anilino-3-phenylprop-2-enoate?
methyl (Z)-3-anilino-3-phenylprop-2-enoate has a molecular weight of 253.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-anilino-3-phenylprop-2-enoate is sourced from PubChem (CID 10999567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).