(E)-N-methoxy-1-(4-methoxyphenyl)pent-4-en-1-imine

C13H17NO2 — CID 46944422

IUPAC(E)-N-methoxy-1-(4-methoxyphenyl)pent-4-en-1-imine
SMILESC=CCC/C(=N\OC)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO2/c1-4-5-6-13(14-16-3)11-7-9-12(15-2)10-8-11/h4,7-10H,1,5-6H2,2-3H3/b14-13+
InChIKeyYCCSZIDKQQLTBP-BUHFOSPRSA-N
MW219.28 g/mol
LogP3.01
Rot. Bonds6

About (E)-N-methoxy-1-(4-methoxyphenyl)pent-4-en-1-imine

(E)-N-methoxy-1-(4-methoxyphenyl)pent-4-en-1-imine (PubChem CID 46944422) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (E)-N-methoxy-1-(4-methoxyphenyl)pent-4-en-1-imine.

Molecular Properties

Compound Name(E)-N-methoxy-1-(4-methoxyphenyl)pent-4-en-1-imine
PubChem CID46944422
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(E)-N-methoxy-1-(4-methoxyphenyl)pent-4-en-1-imine
SMILESC=CCC/C(=N\OC)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO2/c1-4-5-6-13(14-16-3)11-7-9-12(15-2)10-8-11/h4,7-10H,1,5-6H2,2-3H3/b14-13+
InChIKeyYCCSZIDKQQLTBP-BUHFOSPRSA-N
XLogP3.01
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-1-(2-methylphenyl)pent-4-en-1-imine
CID 163212329
(E)-N-methoxy-1-(4-methoxyphenyl)-2-phenylethanimine
CID 21473328
(Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine
CID 87328023
N-methoxy-1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanimine
CID 1471539
[6-[(E)-C-but-3-enyl-N-methoxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone
CID 167229657
2-but-3-enoxy-1-(4-methoxyphenyl)ethanone
CID 62031391
(E)-1-(4-chlorophenyl)-N-methoxy-2-(4-methoxyphenyl)sulfinylethanimine
CID 6375107
(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine
CID 13182701
(NE)-N-[1-(4-fluorophenyl)pent-4-enylidene]hydroxylamine
CID 131865269
(E)-N-methoxy-1-(4-methoxyphenyl)-1-(4-methylphenyl)methanimine
CID 11357279
N-[3,3-bis(4-methoxyphenyl)prop-2-enylidene]hydroxylamine
CID 142605464
4-(4-methoxyphenyl)pent-4-enal
CID 102505314

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-1-(4-methoxyphenyl)pent-4-en-1-imine?
The IUPAC name of (E)-N-methoxy-1-(4-methoxyphenyl)pent-4-en-1-imine (CID 46944422) is (E)-N-methoxy-1-(4-methoxyphenyl)pent-4-en-1-imine.
What is the SMILES notation for (E)-N-methoxy-1-(4-methoxyphenyl)pent-4-en-1-imine?
The canonical SMILES for (E)-N-methoxy-1-(4-methoxyphenyl)pent-4-en-1-imine is C=CCC/C(=N\OC)c1ccc(OC)cc1.
What is the InChIKey of (E)-N-methoxy-1-(4-methoxyphenyl)pent-4-en-1-imine?
The InChIKey is YCCSZIDKQQLTBP-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-5-6-13(14-16-3)11-7-9-12(15-2)10-8-11/h4,7-10H,1,5-6H2,2-3H3/b14-13+.
What are the key properties of (E)-N-methoxy-1-(4-methoxyphenyl)pent-4-en-1-imine?
(E)-N-methoxy-1-(4-methoxyphenyl)pent-4-en-1-imine has a molecular weight of 219.28 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-(4-methoxyphenyl)pent-4-en-1-imine is sourced from PubChem (CID 46944422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).