N-prop-1-en-2-ylmethanimine

C4H7N — CID 19734183

IUPACN-prop-1-en-2-ylmethanimine
SMILESC=NC(=C)C
InChIInChI=1S/C4H7N/c1-4(2)5-3/h1,3H2,2H3
InChIKeyXJLMJBQPTUOXJK-UHFFFAOYSA-N
MW69.11 g/mol
LogP1.22
Rot. Bonds1

About N-prop-1-en-2-ylmethanimine

N-prop-1-en-2-ylmethanimine (PubChem CID 19734183) has the molecular formula C4H7N and a molecular weight of 69.11 g/mol. Its IUPAC name is N-prop-1-en-2-ylmethanimine.

Molecular Properties

Compound NameN-prop-1-en-2-ylmethanimine
PubChem CID19734183
Molecular FormulaC4H7N
Molecular Weight69.11 g/mol
Exact Mass69.06
IUPAC NameN-prop-1-en-2-ylmethanimine
SMILESC=NC(=C)C
InChIInChI=1S/C4H7N/c1-4(2)5-3/h1,3H2,2H3
InChIKeyXJLMJBQPTUOXJK-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
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-prop-1-en-2-ylmethanimine?
The IUPAC name of N-prop-1-en-2-ylmethanimine (CID 19734183) is N-prop-1-en-2-ylmethanimine.
What is the SMILES notation for N-prop-1-en-2-ylmethanimine?
The canonical SMILES for N-prop-1-en-2-ylmethanimine is C=NC(=C)C.
What is the InChIKey of N-prop-1-en-2-ylmethanimine?
The InChIKey is XJLMJBQPTUOXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N/c1-4(2)5-3/h1,3H2,2H3.
What are the key properties of N-prop-1-en-2-ylmethanimine?
N-prop-1-en-2-ylmethanimine has a molecular weight of 69.11 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-en-2-ylmethanimine is sourced from PubChem (CID 19734183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).