(1E,4Z)-N-methyl-1-phenylhexa-1,4-dien-3-imine;5-prop-1-en-2-yl-1,3-benzodioxole

C23H25NO2 — CID 142918101

IUPAC(1E,4Z)-N-methyl-1-phenylhexa-1,4-dien-3-imine;5-prop-1-en-2-yl-1,3-benzodioxole
SMILESC/C=C\C(\C=C\c1ccccc1)=N/C.C=C(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H15N.C10H10O2/c1-3-7-13(14-2)11-10-12-8-5-4-6-9-12;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3-11H,1-2H3;3-5H,1,6H2,2H3/b7-3-,11-10+,14-13+;
InChIKeyQGKCUMCILURYMX-GTXXMZSTSA-N
MW347.46 g/mol
LogP5.80
Rot. Bonds4

About (1E,4Z)-N-methyl-1-phenylhexa-1,4-dien-3-imine;5-prop-1-en-2-yl-1,3-benzodioxole

(1E,4Z)-N-methyl-1-phenylhexa-1,4-dien-3-imine;5-prop-1-en-2-yl-1,3-benzodioxole (PubChem CID 142918101) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (1E,4Z)-N-methyl-1-phenylhexa-1,4-dien-3-imine;5-prop-1-en-2-yl-1,3-benzodioxole.

Molecular Properties

Compound Name(1E,4Z)-N-methyl-1-phenylhexa-1,4-dien-3-imine;5-prop-1-en-2-yl-1,3-benzodioxole
PubChem CID142918101
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name(1E,4Z)-N-methyl-1-phenylhexa-1,4-dien-3-imine;5-prop-1-en-2-yl-1,3-benzodioxole
SMILESC/C=C\C(\C=C\c1ccccc1)=N/C.C=C(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H15N.C10H10O2/c1-3-7-13(14-2)11-10-12-8-5-4-6-9-12;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3-11H,1-2H3;3-5H,1,6H2,2H3/b7-3-,11-10+,14-13+;
InChIKeyQGKCUMCILURYMX-GTXXMZSTSA-N
XLogP5.80
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1E,4Z)-N-methyl-1-phenylhexa-1,4-dien-3-imine;5-prop-1-en-2-yl-1,3-benzodioxole with MolForge

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Launch Full Analysis

Related Compounds

formaldehyde;5-[(E)-prop-1-enyl]-1,3-benzodioxole
CID 6442051
(Z)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
CID 5385558
(E)-1-(1,3-benzodioxol-5-yl)-3-(3-phenoxyphenyl)prop-2-en-1-one
CID 7947642
1-(1,3-benzodioxol-5-yl)ethanone;ethane;(1E,4Z)-N-methyl-1-thiophen-2-ylhepta-1,4-dien-3-imine
CID 142918098
N-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 34979188
(1E,4Z)-N-methyl-7-(4-methylphenyl)-1-phenylocta-1,4,7-trien-3-imine
CID 143806230
3-[(E)-2-phenylethenyl]-6-prop-1-en-2-yl-9H-xanthen-1-ol
CID 53373394
[(E)-3-phenylprop-2-enyl] 1,3-benzodioxole-5-carboxylate
CID 8012668
N'-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]benzohydrazide
CID 6140686
N-(1,3-benzodioxol-5-yl)-3-phenylprop-2-enamide
CID 4106400
(E)-1-(2,3,4,5,6,7-hexahydro-1,8-benzodioxecin-10-yl)-3-phenylprop-2-en-1-one
CID 6025416
3-(1,3-benzodioxol-5-yl)-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]prop-2-en-1-one
CID 4876747

Frequently Asked Questions

What is the IUPAC name of (1E,4Z)-N-methyl-1-phenylhexa-1,4-dien-3-imine;5-prop-1-en-2-yl-1,3-benzodioxole?
The IUPAC name of (1E,4Z)-N-methyl-1-phenylhexa-1,4-dien-3-imine;5-prop-1-en-2-yl-1,3-benzodioxole (CID 142918101) is (1E,4Z)-N-methyl-1-phenylhexa-1,4-dien-3-imine;5-prop-1-en-2-yl-1,3-benzodioxole.
What is the SMILES notation for (1E,4Z)-N-methyl-1-phenylhexa-1,4-dien-3-imine;5-prop-1-en-2-yl-1,3-benzodioxole?
The canonical SMILES for (1E,4Z)-N-methyl-1-phenylhexa-1,4-dien-3-imine;5-prop-1-en-2-yl-1,3-benzodioxole is C/C=C\C(\C=C\c1ccccc1)=N/C.C=C(C)c1ccc2c(c1)OCO2.
What is the InChIKey of (1E,4Z)-N-methyl-1-phenylhexa-1,4-dien-3-imine;5-prop-1-en-2-yl-1,3-benzodioxole?
The InChIKey is QGKCUMCILURYMX-GTXXMZSTSA-N. The full InChI is InChI=1S/C13H15N.C10H10O2/c1-3-7-13(14-2)11-10-12-8-5-4-6-9-12;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3-11H,1-2H3;3-5H,1,6H2,2H3/b7-3-,11-10+,14-13+;.
What are the key properties of (1E,4Z)-N-methyl-1-phenylhexa-1,4-dien-3-imine;5-prop-1-en-2-yl-1,3-benzodioxole?
(1E,4Z)-N-methyl-1-phenylhexa-1,4-dien-3-imine;5-prop-1-en-2-yl-1,3-benzodioxole has a molecular weight of 347.46 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4Z)-N-methyl-1-phenylhexa-1,4-dien-3-imine;5-prop-1-en-2-yl-1,3-benzodioxole is sourced from PubChem (CID 142918101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).