(Z)-6-(2-ethanimidoylphenyl)-5-methylidenehept-3-en-2-imine

C16H20N2 — CID 90963737

IUPAC(Z)-6-(2-ethanimidoylphenyl)-5-methylidenehept-3-en-2-imine
SMILES[H]/N=C(C)/C=C\C(=C)C(C)c1ccccc1/C(C)=N/[H]
InChIInChI=1S/C16H20N2/c1-11(9-10-12(2)17)13(3)15-7-5-6-8-16(15)14(4)18/h5-10,13,17-18H,1H2,2-4H3/b10-9-,17-12+,18-14+
InChIKeyQKTSHSZHKDMLOY-DSLMEWLTSA-N
MW240.35 g/mol
LogP4.33
Rot. Bonds5

About (Z)-6-(2-ethanimidoylphenyl)-5-methylidenehept-3-en-2-imine

(Z)-6-(2-ethanimidoylphenyl)-5-methylidenehept-3-en-2-imine (PubChem CID 90963737) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (Z)-6-(2-ethanimidoylphenyl)-5-methylidenehept-3-en-2-imine.

Molecular Properties

Compound Name(Z)-6-(2-ethanimidoylphenyl)-5-methylidenehept-3-en-2-imine
PubChem CID90963737
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name(Z)-6-(2-ethanimidoylphenyl)-5-methylidenehept-3-en-2-imine
SMILES[H]/N=C(C)/C=C\C(=C)C(C)c1ccccc1/C(C)=N/[H]
InChIInChI=1S/C16H20N2/c1-11(9-10-12(2)17)13(3)15-7-5-6-8-16(15)14(4)18/h5-10,13,17-18H,1H2,2-4H3/b10-9-,17-12+,18-14+
InChIKeyQKTSHSZHKDMLOY-DSLMEWLTSA-N
XLogP4.33
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[2-(C,N-dimethylcarbonimidoyl)phenyl]-5-methylidenehepta-1,3-dien-2-yl]formamide
CID 90781913
1-[2-(methylideneamino)phenyl]ethanimine
CID 89114135
1-[2-methyl-3-(1,1,1-trifluoropropan-2-yl)phenyl]ethanimine
CID 146258533
ethane;(2-ethanimidoylphenyl)methylidenevanadium;2-methylbutane
CID 143427772
ethenyl 2-phenylpropanimidate
CID 151371643
1-(2-methoxyphenyl)ethanimine
CID 154457857
N-ethenyl-N-methylethanimidamide;toluene
CID 142995376
2-ethanimidoylbenzonitrile
CID 166811885
1-(2-diphenylphosphanylphenyl)ethanimine
CID 139968166
2-ethanimidoyl-6-fluoroaniline
CID 143652831
ethane;1-[(2E)-4-methylpenta-2,4-dien-2-yl]-2-propan-2-ylbenzene
CID 142104911
3-(2-acetylphenyl)butan-2-one
CID 171562891

Frequently Asked Questions

What is the IUPAC name of (Z)-6-(2-ethanimidoylphenyl)-5-methylidenehept-3-en-2-imine?
The IUPAC name of (Z)-6-(2-ethanimidoylphenyl)-5-methylidenehept-3-en-2-imine (CID 90963737) is (Z)-6-(2-ethanimidoylphenyl)-5-methylidenehept-3-en-2-imine.
What is the SMILES notation for (Z)-6-(2-ethanimidoylphenyl)-5-methylidenehept-3-en-2-imine?
The canonical SMILES for (Z)-6-(2-ethanimidoylphenyl)-5-methylidenehept-3-en-2-imine is [H]/N=C(C)/C=C\C(=C)C(C)c1ccccc1/C(C)=N/[H].
What is the InChIKey of (Z)-6-(2-ethanimidoylphenyl)-5-methylidenehept-3-en-2-imine?
The InChIKey is QKTSHSZHKDMLOY-DSLMEWLTSA-N. The full InChI is InChI=1S/C16H20N2/c1-11(9-10-12(2)17)13(3)15-7-5-6-8-16(15)14(4)18/h5-10,13,17-18H,1H2,2-4H3/b10-9-,17-12+,18-14+.
What are the key properties of (Z)-6-(2-ethanimidoylphenyl)-5-methylidenehept-3-en-2-imine?
(Z)-6-(2-ethanimidoylphenyl)-5-methylidenehept-3-en-2-imine has a molecular weight of 240.35 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-(2-ethanimidoylphenyl)-5-methylidenehept-3-en-2-imine is sourced from PubChem (CID 90963737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).