ethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid

C11H16N2O2 — CID 141192681

IUPACethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid
SMILESNCCN.O=C(O)/C=C/c1ccccc1
InChIInChI=1S/C9H8O2.C2H8N2/c10-9(11)7-6-8-4-2-1-3-5-8;3-1-2-4/h1-7H,(H,10,11);1-4H2/b7-6+;
InChIKeySTXJAIQOOUXEMX-UHDJGPCESA-N
MW208.26 g/mol
LogP0.69
Rot. Bonds3

About ethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid

ethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid (PubChem CID 141192681) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid.

Molecular Properties

Compound Nameethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid
PubChem CID141192681
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid
SMILESNCCN.O=C(O)/C=C/c1ccccc1
InChIInChI=1S/C9H8O2.C2H8N2/c10-9(11)7-6-8-4-2-1-3-5-8;3-1-2-4/h1-7H,(H,10,11);1-4H2/b7-6+;
InChIKeySTXJAIQOOUXEMX-UHDJGPCESA-N
XLogP0.69
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid 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

(Z)-3-phenylprop-2-enoic acid
CID 5372954
3-phenylprop-2-enoic acid;hydrobromide
CID 172826551
3-phenylprop-2-enoic acid;hydrofluoride
CID 159150390
bis((E)-3-phenylprop-2-enoic acid);zinc
CID 11291345
CID 131855579
CID 131855579
azane;3-phenylprop-2-enoic acid
CID 66894546
ethane;methanamine;(E)-3-phenylprop-2-enoic acid
CID 142207731
ethanol;3-phenylprop-2-enoic acid
CID 158830805
3-phenylprop-2-enoic acid;trimethylsilane
CID 175438890
diphenylmethanone;(E)-3-phenylprop-2-enoic acid
CID 70019468
(E)-3-[4-(4-aminobut-1-enyl)phenyl]prop-2-enoic acid
CID 170487446
ethyl carbamate;(E)-3-phenylprop-2-enoic acid
CID 70467325

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid?
The IUPAC name of ethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid (CID 141192681) is ethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid.
What is the SMILES notation for ethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid?
The canonical SMILES for ethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid is NCCN.O=C(O)/C=C/c1ccccc1.
What is the InChIKey of ethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid?
The InChIKey is STXJAIQOOUXEMX-UHDJGPCESA-N. The full InChI is InChI=1S/C9H8O2.C2H8N2/c10-9(11)7-6-8-4-2-1-3-5-8;3-1-2-4/h1-7H,(H,10,11);1-4H2/b7-6+;.
What are the key properties of ethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid?
ethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid has a molecular weight of 208.26 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid is sourced from PubChem (CID 141192681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).