(Z)-N-ethoxy-2-phenylprop-2-en-1-imine

C11H13NO — CID 59033387

IUPAC(Z)-N-ethoxy-2-phenylprop-2-en-1-imine
SMILESC=C(/C=N\OCC)c1ccccc1
InChIInChI=1S/C11H13NO/c1-3-13-12-9-10(2)11-7-5-4-6-8-11/h4-9H,2-3H2,1H3/b12-9-
InChIKeyBJCNBFSCQQUIKX-XFXZXTDPSA-N
MW175.23 g/mol
LogP2.72
Rot. Bonds4

About (Z)-N-ethoxy-2-phenylprop-2-en-1-imine

(Z)-N-ethoxy-2-phenylprop-2-en-1-imine (PubChem CID 59033387) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (Z)-N-ethoxy-2-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-ethoxy-2-phenylprop-2-en-1-imine
PubChem CID59033387
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(Z)-N-ethoxy-2-phenylprop-2-en-1-imine
SMILESC=C(/C=N\OCC)c1ccccc1
InChIInChI=1S/C11H13NO/c1-3-13-12-9-10(2)11-7-5-4-6-8-11/h4-9H,2-3H2,1H3/b12-9-
InChIKeyBJCNBFSCQQUIKX-XFXZXTDPSA-N
XLogP2.72
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethoxy-2-phenylprop-2-en-1-imine?
The IUPAC name of (Z)-N-ethoxy-2-phenylprop-2-en-1-imine (CID 59033387) is (Z)-N-ethoxy-2-phenylprop-2-en-1-imine.
What is the SMILES notation for (Z)-N-ethoxy-2-phenylprop-2-en-1-imine?
The canonical SMILES for (Z)-N-ethoxy-2-phenylprop-2-en-1-imine is C=C(/C=N\OCC)c1ccccc1.
What is the InChIKey of (Z)-N-ethoxy-2-phenylprop-2-en-1-imine?
The InChIKey is BJCNBFSCQQUIKX-XFXZXTDPSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-13-12-9-10(2)11-7-5-4-6-8-11/h4-9H,2-3H2,1H3/b12-9-.
What are the key properties of (Z)-N-ethoxy-2-phenylprop-2-en-1-imine?
(Z)-N-ethoxy-2-phenylprop-2-en-1-imine has a molecular weight of 175.23 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethoxy-2-phenylprop-2-en-1-imine is sourced from PubChem (CID 59033387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).