ethane;5-methylidene-3,4-dihydro-2H-pyridine

C10H21N — CID 123336485

IUPACethane;5-methylidene-3,4-dihydro-2H-pyridine
SMILESC=C1C=NCCC1.CC.CC
InChIInChI=1S/C6H9N.2C2H6/c1-6-3-2-4-7-5-6;2*1-2/h5H,1-4H2;2*1-2H3
InChIKeyVVOXNFNFYXDMJA-UHFFFAOYSA-N
MW155.28 g/mol
LogP3.46
Rot. Bonds

About ethane;5-methylidene-3,4-dihydro-2H-pyridine

ethane;5-methylidene-3,4-dihydro-2H-pyridine (PubChem CID 123336485) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is ethane;5-methylidene-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Nameethane;5-methylidene-3,4-dihydro-2H-pyridine
PubChem CID123336485
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Nameethane;5-methylidene-3,4-dihydro-2H-pyridine
SMILESC=C1C=NCCC1.CC.CC
InChIInChI=1S/C6H9N.2C2H6/c1-6-3-2-4-7-5-6;2*1-2/h5H,1-4H2;2*1-2H3
InChIKeyVVOXNFNFYXDMJA-UHFFFAOYSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methylidene-3,4-dihydro-2H-pyridine?
The IUPAC name of ethane;5-methylidene-3,4-dihydro-2H-pyridine (CID 123336485) is ethane;5-methylidene-3,4-dihydro-2H-pyridine.
What is the SMILES notation for ethane;5-methylidene-3,4-dihydro-2H-pyridine?
The canonical SMILES for ethane;5-methylidene-3,4-dihydro-2H-pyridine is C=C1C=NCCC1.CC.CC.
What is the InChIKey of ethane;5-methylidene-3,4-dihydro-2H-pyridine?
The InChIKey is VVOXNFNFYXDMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.2C2H6/c1-6-3-2-4-7-5-6;2*1-2/h5H,1-4H2;2*1-2H3.
What are the key properties of ethane;5-methylidene-3,4-dihydro-2H-pyridine?
ethane;5-methylidene-3,4-dihydro-2H-pyridine has a molecular weight of 155.28 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methylidene-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 123336485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).