N-(6-methyl-3-pyridinyl)prop-2-en-1-imine

C9H10N2 — CID 143838526

IUPACN-(6-methyl-3-pyridinyl)prop-2-en-1-imine
SMILESC=C/C=N/c1ccc(C)nc1
InChIInChI=1S/C9H10N2/c1-3-6-10-9-5-4-8(2)11-7-9/h3-7H,1H2,2H3/b10-6+
InChIKeyRAKWTHRAMDVIMV-UXBLZVDNSA-N
MW146.19 g/mol
LogP2.28
Rot. Bonds2

About N-(6-methyl-3-pyridinyl)prop-2-en-1-imine

N-(6-methyl-3-pyridinyl)prop-2-en-1-imine (PubChem CID 143838526) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is N-(6-methyl-3-pyridinyl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-(6-methyl-3-pyridinyl)prop-2-en-1-imine
PubChem CID143838526
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC NameN-(6-methyl-3-pyridinyl)prop-2-en-1-imine
SMILESC=C/C=N/c1ccc(C)nc1
InChIInChI=1S/C9H10N2/c1-3-6-10-9-5-4-8(2)11-7-9/h3-7H,1H2,2H3/b10-6+
InChIKeyRAKWTHRAMDVIMV-UXBLZVDNSA-N
XLogP2.28
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.28
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 N-(6-methyl-3-pyridinyl)prop-2-en-1-imine?
The IUPAC name of N-(6-methyl-3-pyridinyl)prop-2-en-1-imine (CID 143838526) is N-(6-methyl-3-pyridinyl)prop-2-en-1-imine.
What is the SMILES notation for N-(6-methyl-3-pyridinyl)prop-2-en-1-imine?
The canonical SMILES for N-(6-methyl-3-pyridinyl)prop-2-en-1-imine is C=C/C=N/c1ccc(C)nc1.
What is the InChIKey of N-(6-methyl-3-pyridinyl)prop-2-en-1-imine?
The InChIKey is RAKWTHRAMDVIMV-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H10N2/c1-3-6-10-9-5-4-8(2)11-7-9/h3-7H,1H2,2H3/b10-6+.
What are the key properties of N-(6-methyl-3-pyridinyl)prop-2-en-1-imine?
N-(6-methyl-3-pyridinyl)prop-2-en-1-imine has a molecular weight of 146.19 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-3-pyridinyl)prop-2-en-1-imine is sourced from PubChem (CID 143838526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).