3-methylidene-N-prop-1-en-2-ylpyridin-4-imine

C9H10N2 — CID 169217965

IUPAC3-methylidene-N-prop-1-en-2-ylpyridin-4-imine
SMILESC=C(C)/N=C1\C=CN=CC1=C
InChIInChI=1S/C9H10N2/c1-7(2)11-9-4-5-10-6-8(9)3/h4-6H,1,3H2,2H3/b11-9+
InChIKeyKRBLRLXYWVEJMC-PKNBQFBNSA-N
MW146.19 g/mol
LogP2.12
Rot. Bonds1

About 3-methylidene-N-prop-1-en-2-ylpyridin-4-imine

3-methylidene-N-prop-1-en-2-ylpyridin-4-imine (PubChem CID 169217965) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-methylidene-N-prop-1-en-2-ylpyridin-4-imine.

Molecular Properties

Compound Name3-methylidene-N-prop-1-en-2-ylpyridin-4-imine
PubChem CID169217965
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name3-methylidene-N-prop-1-en-2-ylpyridin-4-imine
SMILESC=C(C)/N=C1\C=CN=CC1=C
InChIInChI=1S/C9H10N2/c1-7(2)11-9-4-5-10-6-8(9)3/h4-6H,1,3H2,2H3/b11-9+
InChIKeyKRBLRLXYWVEJMC-PKNBQFBNSA-N
XLogP2.12
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-methylidene-N-prop-1-en-2-ylpyridin-4-imine?
The IUPAC name of 3-methylidene-N-prop-1-en-2-ylpyridin-4-imine (CID 169217965) is 3-methylidene-N-prop-1-en-2-ylpyridin-4-imine.
What is the SMILES notation for 3-methylidene-N-prop-1-en-2-ylpyridin-4-imine?
The canonical SMILES for 3-methylidene-N-prop-1-en-2-ylpyridin-4-imine is C=C(C)/N=C1\C=CN=CC1=C.
What is the InChIKey of 3-methylidene-N-prop-1-en-2-ylpyridin-4-imine?
The InChIKey is KRBLRLXYWVEJMC-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H10N2/c1-7(2)11-9-4-5-10-6-8(9)3/h4-6H,1,3H2,2H3/b11-9+.
What are the key properties of 3-methylidene-N-prop-1-en-2-ylpyridin-4-imine?
3-methylidene-N-prop-1-en-2-ylpyridin-4-imine has a molecular weight of 146.19 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-N-prop-1-en-2-ylpyridin-4-imine is sourced from PubChem (CID 169217965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).