prop-1-ene;N-prop-1-en-2-ylmethanimine

C7H13N — CID 143854713

IUPACprop-1-ene;N-prop-1-en-2-ylmethanimine
SMILESC=CC.C=NC(=C)C
InChIInChI=1S/C4H7N.C3H6/c1-4(2)5-3;1-3-2/h1,3H2,2H3;3H,1H2,2H3
InChIKeyQQGIJVDWMYYEJZ-UHFFFAOYSA-N
MW111.19 g/mol
LogP2.41
Rot. Bonds1

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

prop-1-ene;N-prop-1-en-2-ylmethanimine (PubChem CID 143854713) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is prop-1-ene;N-prop-1-en-2-ylmethanimine.

Molecular Properties

Compound Nameprop-1-ene;N-prop-1-en-2-ylmethanimine
PubChem CID143854713
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Nameprop-1-ene;N-prop-1-en-2-ylmethanimine
SMILESC=CC.C=NC(=C)C
InChIInChI=1S/C4H7N.C3H6/c1-4(2)5-3;1-3-2/h1,3H2,2H3;3H,1H2,2H3
InChIKeyQQGIJVDWMYYEJZ-UHFFFAOYSA-N
XLogP2.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.41
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 prop-1-ene;N-prop-1-en-2-ylmethanimine?
The IUPAC name of prop-1-ene;N-prop-1-en-2-ylmethanimine (CID 143854713) is prop-1-ene;N-prop-1-en-2-ylmethanimine.
What is the SMILES notation for prop-1-ene;N-prop-1-en-2-ylmethanimine?
The canonical SMILES for prop-1-ene;N-prop-1-en-2-ylmethanimine is C=CC.C=NC(=C)C.
What is the InChIKey of prop-1-ene;N-prop-1-en-2-ylmethanimine?
The InChIKey is QQGIJVDWMYYEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.C3H6/c1-4(2)5-3;1-3-2/h1,3H2,2H3;3H,1H2,2H3.
What are the key properties of prop-1-ene;N-prop-1-en-2-ylmethanimine?
prop-1-ene;N-prop-1-en-2-ylmethanimine has a molecular weight of 111.19 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene;N-prop-1-en-2-ylmethanimine is sourced from PubChem (CID 143854713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).