ethane;2-methylidene-3H-pyridine

C8H13N — CID 123155818

IUPACethane;2-methylidene-3H-pyridine
SMILESC=C1CC=CC=N1.CC
InChIInChI=1S/C6H7N.C2H6/c1-6-4-2-3-5-7-6;1-2/h2-3,5H,1,4H2;1-2H3
InChIKeyCOTNKAZRXAAZQH-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.56
Rot. Bonds

About ethane;2-methylidene-3H-pyridine

ethane;2-methylidene-3H-pyridine (PubChem CID 123155818) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is ethane;2-methylidene-3H-pyridine.

Molecular Properties

Compound Nameethane;2-methylidene-3H-pyridine
PubChem CID123155818
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Nameethane;2-methylidene-3H-pyridine
SMILESC=C1CC=CC=N1.CC
InChIInChI=1S/C6H7N.C2H6/c1-6-4-2-3-5-7-6;1-2/h2-3,5H,1,4H2;1-2H3
InChIKeyCOTNKAZRXAAZQH-UHFFFAOYSA-N
XLogP2.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-2,3-dihydropyridine
CID 21652564
N-(2-fluoro-4-methylpent-2-en-3-yl)prop-2-en-1-imine
CID 91152307
(Z)-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine
CID 166528353
N-[(3E)-3-fluorohexa-1,3-dien-2-yl]prop-2-en-1-imine
CID 167163288
N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-2-en-1-imine
CID 169977725
(Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine
CID 170098977
(Z,E)-N-[(E)-1-fluoroprop-1-enyl]pent-2-en-1-imine
CID 171558229
2-Ethyl pyridyllithium
CID 129677973
N-[(2E)-2-fluorohexa-2,5-dien-3-yl]propan-1-imine
CID 142913329
(E)-2-fluoro-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine
CID 168972321
6-Methyl-3,4-dihydropyridine
CID 14979256
6-Ethyl-3,4-dihydropyridine
CID 14979257

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylidene-3H-pyridine?
The IUPAC name of ethane;2-methylidene-3H-pyridine (CID 123155818) is ethane;2-methylidene-3H-pyridine.
What is the SMILES notation for ethane;2-methylidene-3H-pyridine?
The canonical SMILES for ethane;2-methylidene-3H-pyridine is C=C1CC=CC=N1.CC.
What is the InChIKey of ethane;2-methylidene-3H-pyridine?
The InChIKey is COTNKAZRXAAZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C2H6/c1-6-4-2-3-5-7-6;1-2/h2-3,5H,1,4H2;1-2H3.
What are the key properties of ethane;2-methylidene-3H-pyridine?
ethane;2-methylidene-3H-pyridine has a molecular weight of 123.20 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylidene-3H-pyridine is sourced from PubChem (CID 123155818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).