N-(4-methoxypenta-1,3-dien-2-yl)ethenimine

C8H11NO — CID 123834633

IUPACN-(4-methoxypenta-1,3-dien-2-yl)ethenimine
SMILESC=C=NC(=C)C=C(C)OC
InChIInChI=1S/C8H11NO/c1-5-9-7(2)6-8(3)10-4/h6H,1-2H2,3-4H3
InChIKeyMVSURLODCOCNFI-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.91
Rot. Bonds3

About N-(4-methoxypenta-1,3-dien-2-yl)ethenimine

N-(4-methoxypenta-1,3-dien-2-yl)ethenimine (PubChem CID 123834633) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is N-(4-methoxypenta-1,3-dien-2-yl)ethenimine.

Molecular Properties

Compound NameN-(4-methoxypenta-1,3-dien-2-yl)ethenimine
PubChem CID123834633
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC NameN-(4-methoxypenta-1,3-dien-2-yl)ethenimine
SMILESC=C=NC(=C)C=C(C)OC
InChIInChI=1S/C8H11NO/c1-5-9-7(2)6-8(3)10-4/h6H,1-2H2,3-4H3
InChIKeyMVSURLODCOCNFI-UHFFFAOYSA-N
XLogP1.91
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxypenta-1,3-dien-2-yl)ethenimine?
The IUPAC name of N-(4-methoxypenta-1,3-dien-2-yl)ethenimine (CID 123834633) is N-(4-methoxypenta-1,3-dien-2-yl)ethenimine.
What is the SMILES notation for N-(4-methoxypenta-1,3-dien-2-yl)ethenimine?
The canonical SMILES for N-(4-methoxypenta-1,3-dien-2-yl)ethenimine is C=C=NC(=C)C=C(C)OC.
What is the InChIKey of N-(4-methoxypenta-1,3-dien-2-yl)ethenimine?
The InChIKey is MVSURLODCOCNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-5-9-7(2)6-8(3)10-4/h6H,1-2H2,3-4H3.
What are the key properties of N-(4-methoxypenta-1,3-dien-2-yl)ethenimine?
N-(4-methoxypenta-1,3-dien-2-yl)ethenimine has a molecular weight of 137.18 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxypenta-1,3-dien-2-yl)ethenimine is sourced from PubChem (CID 123834633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).