(Z)-2,3-dimethoxy-N-methylpent-2-en-1-imine

C8H15NO2 — CID 139492050

IUPAC(Z)-2,3-dimethoxy-N-methylpent-2-en-1-imine
SMILESCC/C(OC)=C(\C=N\C)OC
InChIInChI=1S/C8H15NO2/c1-5-7(10-3)8(11-4)6-9-2/h6H,5H2,1-4H3/b8-7-,9-6+
InChIKeyAUAHNZOFAQXEKC-SOKJVCRVSA-N
MW157.21 g/mol
LogP1.60
Rot. Bonds4

About (Z)-2,3-dimethoxy-N-methylpent-2-en-1-imine

(Z)-2,3-dimethoxy-N-methylpent-2-en-1-imine (PubChem CID 139492050) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (Z)-2,3-dimethoxy-N-methylpent-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2,3-dimethoxy-N-methylpent-2-en-1-imine
PubChem CID139492050
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(Z)-2,3-dimethoxy-N-methylpent-2-en-1-imine
SMILESCC/C(OC)=C(\C=N\C)OC
InChIInChI=1S/C8H15NO2/c1-5-7(10-3)8(11-4)6-9-2/h6H,5H2,1-4H3/b8-7-,9-6+
InChIKeyAUAHNZOFAQXEKC-SOKJVCRVSA-N
XLogP1.60
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-dimethoxy-N-methylpent-2-en-1-imine?
The IUPAC name of (Z)-2,3-dimethoxy-N-methylpent-2-en-1-imine (CID 139492050) is (Z)-2,3-dimethoxy-N-methylpent-2-en-1-imine.
What is the SMILES notation for (Z)-2,3-dimethoxy-N-methylpent-2-en-1-imine?
The canonical SMILES for (Z)-2,3-dimethoxy-N-methylpent-2-en-1-imine is CC/C(OC)=C(\C=N\C)OC.
What is the InChIKey of (Z)-2,3-dimethoxy-N-methylpent-2-en-1-imine?
The InChIKey is AUAHNZOFAQXEKC-SOKJVCRVSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-7(10-3)8(11-4)6-9-2/h6H,5H2,1-4H3/b8-7-,9-6+.
What are the key properties of (Z)-2,3-dimethoxy-N-methylpent-2-en-1-imine?
(Z)-2,3-dimethoxy-N-methylpent-2-en-1-imine has a molecular weight of 157.21 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-dimethoxy-N-methylpent-2-en-1-imine is sourced from PubChem (CID 139492050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).