(2S)-4-ethenylidene-2-methylpiperidine

C8H13N — CID 88577809

IUPAC(2S)-4-ethenylidene-2-methylpiperidine
SMILESC=C=C1CCN[C@@H](C)C1
InChIInChI=1S/C8H13N/c1-3-8-4-5-9-7(2)6-8/h7,9H,1,4-6H2,2H3/t7-/m0/s1
InChIKeyFULHLVKZLLSZCC-ZETCQYMHSA-N
MW123.20 g/mol
LogP1.47
Rot. Bonds

About (2S)-4-ethenylidene-2-methylpiperidine

(2S)-4-ethenylidene-2-methylpiperidine (PubChem CID 88577809) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (2S)-4-ethenylidene-2-methylpiperidine.

Molecular Properties

Compound Name(2S)-4-ethenylidene-2-methylpiperidine
PubChem CID88577809
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(2S)-4-ethenylidene-2-methylpiperidine
SMILESC=C=C1CCN[C@@H](C)C1
InChIInChI=1S/C8H13N/c1-3-8-4-5-9-7(2)6-8/h7,9H,1,4-6H2,2H3/t7-/m0/s1
InChIKeyFULHLVKZLLSZCC-ZETCQYMHSA-N
XLogP1.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-ethenylidene-2-methylpiperidine?
The IUPAC name of (2S)-4-ethenylidene-2-methylpiperidine (CID 88577809) is (2S)-4-ethenylidene-2-methylpiperidine.
What is the SMILES notation for (2S)-4-ethenylidene-2-methylpiperidine?
The canonical SMILES for (2S)-4-ethenylidene-2-methylpiperidine is C=C=C1CCN[C@@H](C)C1.
What is the InChIKey of (2S)-4-ethenylidene-2-methylpiperidine?
The InChIKey is FULHLVKZLLSZCC-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13N/c1-3-8-4-5-9-7(2)6-8/h7,9H,1,4-6H2,2H3/t7-/m0/s1.
What are the key properties of (2S)-4-ethenylidene-2-methylpiperidine?
(2S)-4-ethenylidene-2-methylpiperidine has a molecular weight of 123.20 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-ethenylidene-2-methylpiperidine is sourced from PubChem (CID 88577809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).