(Z)-N'-methylidene-2-phenylprop-2-ene-1,3-diimine

C10H10N2 — CID 144911563

IUPAC(Z)-N'-methylidene-2-phenylprop-2-ene-1,3-diimine
SMILES[H]/N=C/C(=C\N=C)c1ccccc1
InChIInChI=1S/C10H10N2/c1-12-8-10(7-11)9-5-3-2-4-6-9/h2-8,11H,1H2/b10-8+,11-7+
InChIKeyQFHYMWMRBGMWND-VTTRTIMMSA-N
MW158.20 g/mol
LogP2.38
Rot. Bonds3

About (Z)-N'-methylidene-2-phenylprop-2-ene-1,3-diimine

(Z)-N'-methylidene-2-phenylprop-2-ene-1,3-diimine (PubChem CID 144911563) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (Z)-N'-methylidene-2-phenylprop-2-ene-1,3-diimine.

Molecular Properties

Compound Name(Z)-N'-methylidene-2-phenylprop-2-ene-1,3-diimine
PubChem CID144911563
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name(Z)-N'-methylidene-2-phenylprop-2-ene-1,3-diimine
SMILES[H]/N=C/C(=C\N=C)c1ccccc1
InChIInChI=1S/C10H10N2/c1-12-8-10(7-11)9-5-3-2-4-6-9/h2-8,11H,1H2/b10-8+,11-7+
InChIKeyQFHYMWMRBGMWND-VTTRTIMMSA-N
XLogP2.38
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-methylidene-2-phenylprop-2-ene-1,3-diimine?
The IUPAC name of (Z)-N'-methylidene-2-phenylprop-2-ene-1,3-diimine (CID 144911563) is (Z)-N'-methylidene-2-phenylprop-2-ene-1,3-diimine.
What is the SMILES notation for (Z)-N'-methylidene-2-phenylprop-2-ene-1,3-diimine?
The canonical SMILES for (Z)-N'-methylidene-2-phenylprop-2-ene-1,3-diimine is [H]/N=C/C(=C\N=C)c1ccccc1.
What is the InChIKey of (Z)-N'-methylidene-2-phenylprop-2-ene-1,3-diimine?
The InChIKey is QFHYMWMRBGMWND-VTTRTIMMSA-N. The full InChI is InChI=1S/C10H10N2/c1-12-8-10(7-11)9-5-3-2-4-6-9/h2-8,11H,1H2/b10-8+,11-7+.
What are the key properties of (Z)-N'-methylidene-2-phenylprop-2-ene-1,3-diimine?
(Z)-N'-methylidene-2-phenylprop-2-ene-1,3-diimine has a molecular weight of 158.20 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-methylidene-2-phenylprop-2-ene-1,3-diimine is sourced from PubChem (CID 144911563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).