ethane;3-methylidene-2H-pyridine

C8H13N — CID 163579422

IUPACethane;3-methylidene-2H-pyridine
SMILESC=C1C=CC=NC1.CC
InChIInChI=1S/C6H7N.C2H6/c1-6-3-2-4-7-5-6;1-2/h2-4H,1,5H2;1-2H3
InChIKeyGGGIFRQKRIFRTR-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.21
Rot. Bonds

About ethane;3-methylidene-2H-pyridine

ethane;3-methylidene-2H-pyridine (PubChem CID 163579422) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is ethane;3-methylidene-2H-pyridine.

Molecular Properties

Compound Nameethane;3-methylidene-2H-pyridine
PubChem CID163579422
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Nameethane;3-methylidene-2H-pyridine
SMILESC=C1C=CC=NC1.CC
InChIInChI=1S/C6H7N.C2H6/c1-6-3-2-4-7-5-6;1-2/h2-4H,1,5H2;1-2H3
InChIKeyGGGIFRQKRIFRTR-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methylidene-2H-pyridine?
The IUPAC name of ethane;3-methylidene-2H-pyridine (CID 163579422) is ethane;3-methylidene-2H-pyridine.
What is the SMILES notation for ethane;3-methylidene-2H-pyridine?
The canonical SMILES for ethane;3-methylidene-2H-pyridine is C=C1C=CC=NC1.CC.
What is the InChIKey of ethane;3-methylidene-2H-pyridine?
The InChIKey is GGGIFRQKRIFRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C2H6/c1-6-3-2-4-7-5-6;1-2/h2-4H,1,5H2;1-2H3.
What are the key properties of ethane;3-methylidene-2H-pyridine?
ethane;3-methylidene-2H-pyridine has a molecular weight of 123.20 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylidene-2H-pyridine is sourced from PubChem (CID 163579422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).