N-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine

C7H11NO — CID 156714992

IUPACN-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C\C(=C)OC
InChIInChI=1S/C7H11NO/c1-6(8-3)5-7(2)9-4/h5H,2-3H2,1,4H3/b6-5-
InChIKeyZSDGYZSXPVNIPW-WAYWQWQTSA-N
MW125.17 g/mol
LogP1.75
Rot. Bonds3

About N-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine

N-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine (PubChem CID 156714992) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is N-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine
PubChem CID156714992
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC NameN-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C\C(=C)OC
InChIInChI=1S/C7H11NO/c1-6(8-3)5-7(2)9-4/h5H,2-3H2,1,4H3/b6-5-
InChIKeyZSDGYZSXPVNIPW-WAYWQWQTSA-N
XLogP1.75
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.75
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-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine (CID 156714992) is N-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine is C=N/C(C)=C\C(=C)OC.
What is the InChIKey of N-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine?
The InChIKey is ZSDGYZSXPVNIPW-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H11NO/c1-6(8-3)5-7(2)9-4/h5H,2-3H2,1,4H3/b6-5-.
What are the key properties of N-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine?
N-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine has a molecular weight of 125.17 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 156714992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).