N-prop-2-enylprop-2-en-1-imine

C6H9N — CID 91105654

IUPACN-prop-2-enylprop-2-en-1-imine
SMILESC=C/C=N/CC=C
InChIInChI=1S/C6H9N/c1-3-5-7-6-4-2/h3-5H,1-2,6H2/b7-5+
InChIKeyDUKPXSUWWXJGOP-FNORWQNLSA-N
MW95.15 g/mol
LogP1.43
Rot. Bonds3

About N-prop-2-enylprop-2-en-1-imine

N-prop-2-enylprop-2-en-1-imine (PubChem CID 91105654) has the molecular formula C6H9N and a molecular weight of 95.15 g/mol. Its IUPAC name is N-prop-2-enylprop-2-en-1-imine.

Molecular Properties

Compound NameN-prop-2-enylprop-2-en-1-imine
PubChem CID91105654
Molecular FormulaC6H9N
Molecular Weight95.15 g/mol
Exact Mass95.07
IUPAC NameN-prop-2-enylprop-2-en-1-imine
SMILESC=C/C=N/CC=C
InChIInChI=1S/C6H9N/c1-3-5-7-6-4-2/h3-5H,1-2,6H2/b7-5+
InChIKeyDUKPXSUWWXJGOP-FNORWQNLSA-N
XLogP1.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.15
LogP ≤ 51.43
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-prop-2-enylprop-2-en-1-imine?
The IUPAC name of N-prop-2-enylprop-2-en-1-imine (CID 91105654) is N-prop-2-enylprop-2-en-1-imine.
What is the SMILES notation for N-prop-2-enylprop-2-en-1-imine?
The canonical SMILES for N-prop-2-enylprop-2-en-1-imine is C=C/C=N/CC=C.
What is the InChIKey of N-prop-2-enylprop-2-en-1-imine?
The InChIKey is DUKPXSUWWXJGOP-FNORWQNLSA-N. The full InChI is InChI=1S/C6H9N/c1-3-5-7-6-4-2/h3-5H,1-2,6H2/b7-5+.
What are the key properties of N-prop-2-enylprop-2-en-1-imine?
N-prop-2-enylprop-2-en-1-imine has a molecular weight of 95.15 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylprop-2-en-1-imine is sourced from PubChem (CID 91105654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).