1,2,3,4,5,6,7,8-octahydro-1,8-naphthyridine

C8H14N2 — CID 55286593

IUPAC1,2,3,4,5,6,7,8-octahydro-1,8-naphthyridine
SMILESC1CNC2=C(C1)CCCN2
InChIInChI=1S/C8H14N2/c1-3-7-4-2-6-10-8(7)9-5-1/h9-10H,1-6H2
InChIKeyBWSRSHVIWYOQMQ-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.96
Rot. Bonds

About 1,2,3,4,5,6,7,8-octahydro-1,8-naphthyridine

1,2,3,4,5,6,7,8-octahydro-1,8-naphthyridine (PubChem CID 55286593) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octahydro-1,8-naphthyridine.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octahydro-1,8-naphthyridine
PubChem CID55286593
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1,2,3,4,5,6,7,8-octahydro-1,8-naphthyridine
SMILESC1CNC2=C(C1)CCCN2
InChIInChI=1S/C8H14N2/c1-3-7-4-2-6-10-8(7)9-5-1/h9-10H,1-6H2
InChIKeyBWSRSHVIWYOQMQ-UHFFFAOYSA-N
XLogP0.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octahydro-1,8-naphthyridine?
The IUPAC name of 1,2,3,4,5,6,7,8-octahydro-1,8-naphthyridine (CID 55286593) is 1,2,3,4,5,6,7,8-octahydro-1,8-naphthyridine.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octahydro-1,8-naphthyridine?
The canonical SMILES for 1,2,3,4,5,6,7,8-octahydro-1,8-naphthyridine is C1CNC2=C(C1)CCCN2.
What is the InChIKey of 1,2,3,4,5,6,7,8-octahydro-1,8-naphthyridine?
The InChIKey is BWSRSHVIWYOQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-7-4-2-6-10-8(7)9-5-1/h9-10H,1-6H2.
What are the key properties of 1,2,3,4,5,6,7,8-octahydro-1,8-naphthyridine?
1,2,3,4,5,6,7,8-octahydro-1,8-naphthyridine has a molecular weight of 138.21 g/mol, XLogP of 0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octahydro-1,8-naphthyridine is sourced from PubChem (CID 55286593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).