N-(cyclopropen-1-ylmethyl)methanimine

C5H7N — CID 153084184

IUPACN-(cyclopropen-1-ylmethyl)methanimine
SMILESC=NCC1=CC1
InChIInChI=1S/C5H7N/c1-6-4-5-2-3-5/h2H,1,3-4H2
InChIKeyVNWGYBSNEXXOOH-UHFFFAOYSA-N
MW81.12 g/mol
LogP1.02
Rot. Bonds2

About N-(cyclopropen-1-ylmethyl)methanimine

N-(cyclopropen-1-ylmethyl)methanimine (PubChem CID 153084184) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is N-(cyclopropen-1-ylmethyl)methanimine.

Molecular Properties

Compound NameN-(cyclopropen-1-ylmethyl)methanimine
PubChem CID153084184
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC NameN-(cyclopropen-1-ylmethyl)methanimine
SMILESC=NCC1=CC1
InChIInChI=1S/C5H7N/c1-6-4-5-2-3-5/h2H,1,3-4H2
InChIKeyVNWGYBSNEXXOOH-UHFFFAOYSA-N
XLogP1.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.12
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropen-1-ylmethyl)methanimine?
The IUPAC name of N-(cyclopropen-1-ylmethyl)methanimine (CID 153084184) is N-(cyclopropen-1-ylmethyl)methanimine.
What is the SMILES notation for N-(cyclopropen-1-ylmethyl)methanimine?
The canonical SMILES for N-(cyclopropen-1-ylmethyl)methanimine is C=NCC1=CC1.
What is the InChIKey of N-(cyclopropen-1-ylmethyl)methanimine?
The InChIKey is VNWGYBSNEXXOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N/c1-6-4-5-2-3-5/h2H,1,3-4H2.
What are the key properties of N-(cyclopropen-1-ylmethyl)methanimine?
N-(cyclopropen-1-ylmethyl)methanimine has a molecular weight of 81.12 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropen-1-ylmethyl)methanimine is sourced from PubChem (CID 153084184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).