(Z)-N-methoxy-2-methylprop-2-en-1-imine

C5H9NO — CID 6443853

IUPAC(Z)-N-methoxy-2-methylprop-2-en-1-imine
SMILESC=C(C)/C=N\OC
InChIInChI=1S/C5H9NO/c1-5(2)4-6-7-3/h4H,1H2,2-3H3/b6-4-
InChIKeyGVKACWNWGXUADI-XQRVVYSFSA-N
MW99.13 g/mol
LogP1.19
Rot. Bonds2

About (Z)-N-methoxy-2-methylprop-2-en-1-imine

(Z)-N-methoxy-2-methylprop-2-en-1-imine (PubChem CID 6443853) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (Z)-N-methoxy-2-methylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-methoxy-2-methylprop-2-en-1-imine
PubChem CID6443853
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(Z)-N-methoxy-2-methylprop-2-en-1-imine
SMILESC=C(C)/C=N\OC
InChIInChI=1S/C5H9NO/c1-5(2)4-6-7-3/h4H,1H2,2-3H3/b6-4-
InChIKeyGVKACWNWGXUADI-XQRVVYSFSA-N
XLogP1.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methoxy-2-methylprop-2-en-1-imine?
The IUPAC name of (Z)-N-methoxy-2-methylprop-2-en-1-imine (CID 6443853) is (Z)-N-methoxy-2-methylprop-2-en-1-imine.
What is the SMILES notation for (Z)-N-methoxy-2-methylprop-2-en-1-imine?
The canonical SMILES for (Z)-N-methoxy-2-methylprop-2-en-1-imine is C=C(C)/C=N\OC.
What is the InChIKey of (Z)-N-methoxy-2-methylprop-2-en-1-imine?
The InChIKey is GVKACWNWGXUADI-XQRVVYSFSA-N. The full InChI is InChI=1S/C5H9NO/c1-5(2)4-6-7-3/h4H,1H2,2-3H3/b6-4-.
What are the key properties of (Z)-N-methoxy-2-methylprop-2-en-1-imine?
(Z)-N-methoxy-2-methylprop-2-en-1-imine has a molecular weight of 99.13 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-2-methylprop-2-en-1-imine is sourced from PubChem (CID 6443853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).