2,3,4,5,6-pentamethylidenepiperidine

C10H11N — CID 19980189

IUPAC2,3,4,5,6-pentamethylidenepiperidine
SMILESC=C1NC(=C)C(=C)C(=C)C1=C
InChIInChI=1S/C10H11N/c1-6-7(2)9(4)11-10(5)8(6)3/h11H,1-5H2
InChIKeyXRAICDBCNPBGKD-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.29
Rot. Bonds

About 2,3,4,5,6-pentamethylidenepiperidine

2,3,4,5,6-pentamethylidenepiperidine (PubChem CID 19980189) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethylidenepiperidine.

Molecular Properties

Compound Name2,3,4,5,6-pentamethylidenepiperidine
PubChem CID19980189
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name2,3,4,5,6-pentamethylidenepiperidine
SMILESC=C1NC(=C)C(=C)C(=C)C1=C
InChIInChI=1S/C10H11N/c1-6-7(2)9(4)11-10(5)8(6)3/h11H,1-5H2
InChIKeyXRAICDBCNPBGKD-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethylidenepiperidine?
The IUPAC name of 2,3,4,5,6-pentamethylidenepiperidine (CID 19980189) is 2,3,4,5,6-pentamethylidenepiperidine.
What is the SMILES notation for 2,3,4,5,6-pentamethylidenepiperidine?
The canonical SMILES for 2,3,4,5,6-pentamethylidenepiperidine is C=C1NC(=C)C(=C)C(=C)C1=C.
What is the InChIKey of 2,3,4,5,6-pentamethylidenepiperidine?
The InChIKey is XRAICDBCNPBGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-6-7(2)9(4)11-10(5)8(6)3/h11H,1-5H2.
What are the key properties of 2,3,4,5,6-pentamethylidenepiperidine?
2,3,4,5,6-pentamethylidenepiperidine has a molecular weight of 145.20 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethylidenepiperidine is sourced from PubChem (CID 19980189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).