N-methoxyprop-2-en-1-imine

C4H7NO — CID 54380998

IUPACN-methoxyprop-2-en-1-imine
SMILESC=CC=NOC
InChIInChI=1S/C4H7NO/c1-3-4-5-6-2/h3-4H,1H2,2H3
InChIKeyUZWKZJNMTZAZSW-UHFFFAOYSA-N
MW85.11 g/mol
LogP0.80
Rot. Bonds2

About N-methoxyprop-2-en-1-imine

N-methoxyprop-2-en-1-imine (PubChem CID 54380998) has the molecular formula C4H7NO and a molecular weight of 85.11 g/mol. Its IUPAC name is N-methoxyprop-2-en-1-imine.

Molecular Properties

Compound NameN-methoxyprop-2-en-1-imine
PubChem CID54380998
Molecular FormulaC4H7NO
Molecular Weight85.11 g/mol
Exact Mass85.05
IUPAC NameN-methoxyprop-2-en-1-imine
SMILESC=CC=NOC
InChIInChI=1S/C4H7NO/c1-3-4-5-6-2/h3-4H,1H2,2H3
InChIKeyUZWKZJNMTZAZSW-UHFFFAOYSA-N
XLogP0.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 50.80
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 N-methoxyprop-2-en-1-imine?
The IUPAC name of N-methoxyprop-2-en-1-imine (CID 54380998) is N-methoxyprop-2-en-1-imine.
What is the SMILES notation for N-methoxyprop-2-en-1-imine?
The canonical SMILES for N-methoxyprop-2-en-1-imine is C=CC=NOC.
What is the InChIKey of N-methoxyprop-2-en-1-imine?
The InChIKey is UZWKZJNMTZAZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO/c1-3-4-5-6-2/h3-4H,1H2,2H3.
What are the key properties of N-methoxyprop-2-en-1-imine?
N-methoxyprop-2-en-1-imine has a molecular weight of 85.11 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxyprop-2-en-1-imine is sourced from PubChem (CID 54380998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).