2-(2-phenylethenylamino)prop-2-enoic acid

C11H11NO2 — CID 57353567

IUPAC2-(2-phenylethenylamino)prop-2-enoic acid
SMILESC=C(NC=Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H11NO2/c1-9(11(13)14)12-8-7-10-5-3-2-4-6-10/h2-8,12H,1H2,(H,13,14)
InChIKeyXLFBTFWLKCZHAV-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.85
Rot. Bonds4

About 2-(2-phenylethenylamino)prop-2-enoic acid

2-(2-phenylethenylamino)prop-2-enoic acid (PubChem CID 57353567) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-(2-phenylethenylamino)prop-2-enoic acid.

Molecular Properties

Compound Name2-(2-phenylethenylamino)prop-2-enoic acid
PubChem CID57353567
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-(2-phenylethenylamino)prop-2-enoic acid
SMILESC=C(NC=Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H11NO2/c1-9(11(13)14)12-8-7-10-5-3-2-4-6-10/h2-8,12H,1H2,(H,13,14)
InChIKeyXLFBTFWLKCZHAV-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenylethenylcarbamic acid
CID 151881054
N-(2-phenylethenyl)acetamide
CID 54032077
N-(2-phenylethenylcarbamoyl)formamide
CID 174605369
2-fluoro-N-(2-phenylethenyl)acetamide
CID 174418037
2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid
CID 157125853
azane;2-methylidene-4-phenylbut-3-enoic acid
CID 173161880
2-[[(E)-2-phenylethenyl]carbamoylamino]acetamide
CID 144801292
2-methoxy-N-(2-phenylethenyl)acetamide
CID 174718522
1-[(E)-2-phenylethenyl]-3-propylurea
CID 108903089
buta-1,3-dienylbenzene;2-methylprop-2-enoic acid
CID 160671566
1-hydroxy-3-[(E)-2-(4-phenylphenyl)ethenyl]urea
CID 122191260
2-ethoxy-N-(2-phenylethenyl)acetamide
CID 174278279

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethenylamino)prop-2-enoic acid?
The IUPAC name of 2-(2-phenylethenylamino)prop-2-enoic acid (CID 57353567) is 2-(2-phenylethenylamino)prop-2-enoic acid.
What is the SMILES notation for 2-(2-phenylethenylamino)prop-2-enoic acid?
The canonical SMILES for 2-(2-phenylethenylamino)prop-2-enoic acid is C=C(NC=Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-(2-phenylethenylamino)prop-2-enoic acid?
The InChIKey is XLFBTFWLKCZHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-9(11(13)14)12-8-7-10-5-3-2-4-6-10/h2-8,12H,1H2,(H,13,14).
What are the key properties of 2-(2-phenylethenylamino)prop-2-enoic acid?
2-(2-phenylethenylamino)prop-2-enoic acid has a molecular weight of 189.21 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethenylamino)prop-2-enoic acid is sourced from PubChem (CID 57353567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).