2-ethylidene-N-methylpyridin-3-imine

C8H10N2 — CID 77385875

IUPAC2-ethylidene-N-methylpyridin-3-imine
SMILESCC=C1N=CC=C/C1=N\C
InChIInChI=1S/C8H10N2/c1-3-7-8(9-2)5-4-6-10-7/h3-6H,1-2H3/b7-3?,9-8+
InChIKeyLTPKLYDOQPQOFP-OLLAARELSA-N
MW134.18 g/mol
LogP1.60
Rot. Bonds

About 2-ethylidene-N-methylpyridin-3-imine

2-ethylidene-N-methylpyridin-3-imine (PubChem CID 77385875) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-ethylidene-N-methylpyridin-3-imine.

Molecular Properties

Compound Name2-ethylidene-N-methylpyridin-3-imine
PubChem CID77385875
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2-ethylidene-N-methylpyridin-3-imine
SMILESCC=C1N=CC=C/C1=N\C
InChIInChI=1S/C8H10N2/c1-3-7-8(9-2)5-4-6-10-7/h3-6H,1-2H3/b7-3?,9-8+
InChIKeyLTPKLYDOQPQOFP-OLLAARELSA-N
XLogP1.60
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-diethylcyclohexa-2,5-diene-1,4-diimine
CID 15936105
N-butyl-2H-pyridin-3-imine
CID 19388629
N-pent-2-en-3-ylethanimine
CID 20761973
N-propylcyclohexa-2,5-dien-1-imine
CID 21188343
2-methylidene-3H-pyridine
CID 45079590
2H-Pyrrolo[3,2-B]pyridine
CID 56972322
(2E)-2-ethylidene-N-methylpyridin-3-imine
CID 68010674
(3Z)-3-ethylidene-N-methylpyridin-4-imine
CID 68179744
2,3-Dihydro-1,5-naphthyridine
CID 68214849
N-propan-2-yl-2H-pyridin-3-imine
CID 69530945
N-methyl-2H-pyridin-3-imine
CID 70547200
(E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine
CID 71158073

Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-N-methylpyridin-3-imine?
The IUPAC name of 2-ethylidene-N-methylpyridin-3-imine (CID 77385875) is 2-ethylidene-N-methylpyridin-3-imine.
What is the SMILES notation for 2-ethylidene-N-methylpyridin-3-imine?
The canonical SMILES for 2-ethylidene-N-methylpyridin-3-imine is CC=C1N=CC=C/C1=N\C.
What is the InChIKey of 2-ethylidene-N-methylpyridin-3-imine?
The InChIKey is LTPKLYDOQPQOFP-OLLAARELSA-N. The full InChI is InChI=1S/C8H10N2/c1-3-7-8(9-2)5-4-6-10-7/h3-6H,1-2H3/b7-3?,9-8+.
What are the key properties of 2-ethylidene-N-methylpyridin-3-imine?
2-ethylidene-N-methylpyridin-3-imine has a molecular weight of 134.18 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-N-methylpyridin-3-imine is sourced from PubChem (CID 77385875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).