2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine

C10H19N — CID 20521844

IUPAC2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine
SMILESC1CCC2CCCNC2CC1
InChIInChI=1S/C10H19N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h9-11H,1-8H2
InChIKeyUZXWVUGEHNQJQS-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.32
Rot. Bonds

About 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine

2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine (PubChem CID 20521844) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine
PubChem CID20521844
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine
SMILESC1CCC2CCCNC2CC1
InChIInChI=1S/C10H19N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h9-11H,1-8H2
InChIKeyUZXWVUGEHNQJQS-UHFFFAOYSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine?
The IUPAC name of 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine (CID 20521844) is 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine.
What is the SMILES notation for 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine?
The canonical SMILES for 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine is C1CCC2CCCNC2CC1.
What is the InChIKey of 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine?
The InChIKey is UZXWVUGEHNQJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h9-11H,1-8H2.
What are the key properties of 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine?
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine has a molecular weight of 153.27 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine is sourced from PubChem (CID 20521844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).