N-methylprop-2-en-1-imine

C4H7N — CID 15361483

IUPACN-methylprop-2-en-1-imine
SMILESC=C/C=N/C
InChIInChI=1S/C4H7N/c1-3-4-5-2/h3-4H,1H2,2H3/b5-4+
InChIKeyCCXBIOUJSSJJGT-SNAWJCMRSA-N
MW69.11 g/mol
LogP0.87
Rot. Bonds1

About N-methylprop-2-en-1-imine

N-methylprop-2-en-1-imine (PubChem CID 15361483) has the molecular formula C4H7N and a molecular weight of 69.11 g/mol. Its IUPAC name is N-methylprop-2-en-1-imine.

Molecular Properties

Compound NameN-methylprop-2-en-1-imine
PubChem CID15361483
Molecular FormulaC4H7N
Molecular Weight69.11 g/mol
Exact Mass69.06
IUPAC NameN-methylprop-2-en-1-imine
SMILESC=C/C=N/C
InChIInChI=1S/C4H7N/c1-3-4-5-2/h3-4H,1H2,2H3/b5-4+
InChIKeyCCXBIOUJSSJJGT-SNAWJCMRSA-N
XLogP0.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50069.11
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methylprop-2-en-1-imine?
The IUPAC name of N-methylprop-2-en-1-imine (CID 15361483) is N-methylprop-2-en-1-imine.
What is the SMILES notation for N-methylprop-2-en-1-imine?
The canonical SMILES for N-methylprop-2-en-1-imine is C=C/C=N/C.
What is the InChIKey of N-methylprop-2-en-1-imine?
The InChIKey is CCXBIOUJSSJJGT-SNAWJCMRSA-N. The full InChI is InChI=1S/C4H7N/c1-3-4-5-2/h3-4H,1H2,2H3/b5-4+.
What are the key properties of N-methylprop-2-en-1-imine?
N-methylprop-2-en-1-imine has a molecular weight of 69.11 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylprop-2-en-1-imine is sourced from PubChem (CID 15361483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).