N-[(E)-3-(2-ethenylphenyl)prop-2-enylidene]ethanimidamide

C13H14N2 — CID 118642069

IUPACN-[(E)-3-(2-ethenylphenyl)prop-2-enylidene]ethanimidamide
SMILES[H]/N=C(C)/N=C/C=C/c1ccccc1C=C
InChIInChI=1S/C13H14N2/c1-3-12-7-4-5-8-13(12)9-6-10-15-11(2)14/h3-10,14H,1H2,2H3/b9-6+,14-11+,15-10+
InChIKeyCZMVPPBGSGZYKU-DAUBGXKVSA-N
MW198.27 g/mol
LogP3.41
Rot. Bonds3

About N-[(E)-3-(2-ethenylphenyl)prop-2-enylidene]ethanimidamide

N-[(E)-3-(2-ethenylphenyl)prop-2-enylidene]ethanimidamide (PubChem CID 118642069) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-[(E)-3-(2-ethenylphenyl)prop-2-enylidene]ethanimidamide.

Molecular Properties

Compound NameN-[(E)-3-(2-ethenylphenyl)prop-2-enylidene]ethanimidamide
PubChem CID118642069
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC NameN-[(E)-3-(2-ethenylphenyl)prop-2-enylidene]ethanimidamide
SMILES[H]/N=C(C)/N=C/C=C/c1ccccc1C=C
InChIInChI=1S/C13H14N2/c1-3-12-7-4-5-8-13(12)9-6-10-15-11(2)14/h3-10,14H,1H2,2H3/b9-6+,14-11+,15-10+
InChIKeyCZMVPPBGSGZYKU-DAUBGXKVSA-N
XLogP3.41
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(2-ethenylphenyl)prop-2-enylidene]ethanimidamide?
The IUPAC name of N-[(E)-3-(2-ethenylphenyl)prop-2-enylidene]ethanimidamide (CID 118642069) is N-[(E)-3-(2-ethenylphenyl)prop-2-enylidene]ethanimidamide.
What is the SMILES notation for N-[(E)-3-(2-ethenylphenyl)prop-2-enylidene]ethanimidamide?
The canonical SMILES for N-[(E)-3-(2-ethenylphenyl)prop-2-enylidene]ethanimidamide is [H]/N=C(C)/N=C/C=C/c1ccccc1C=C.
What is the InChIKey of N-[(E)-3-(2-ethenylphenyl)prop-2-enylidene]ethanimidamide?
The InChIKey is CZMVPPBGSGZYKU-DAUBGXKVSA-N. The full InChI is InChI=1S/C13H14N2/c1-3-12-7-4-5-8-13(12)9-6-10-15-11(2)14/h3-10,14H,1H2,2H3/b9-6+,14-11+,15-10+.
What are the key properties of N-[(E)-3-(2-ethenylphenyl)prop-2-enylidene]ethanimidamide?
N-[(E)-3-(2-ethenylphenyl)prop-2-enylidene]ethanimidamide has a molecular weight of 198.27 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(2-ethenylphenyl)prop-2-enylidene]ethanimidamide is sourced from PubChem (CID 118642069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).