1,4,8,8a-tetrahydro-2,7-naphthyridine

C8H10N2 — CID 123912397

IUPAC1,4,8,8a-tetrahydro-2,7-naphthyridine
SMILESC1=NCC2CN=CCC2=C1
InChIInChI=1S/C8H10N2/c1-3-9-5-8-6-10-4-2-7(1)8/h1,3-4,8H,2,5-6H2
InChIKeyJWSPKNILVUUIPI-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.09
Rot. Bonds

About 1,4,8,8a-tetrahydro-2,7-naphthyridine

1,4,8,8a-tetrahydro-2,7-naphthyridine (PubChem CID 123912397) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1,4,8,8a-tetrahydro-2,7-naphthyridine.

Molecular Properties

Compound Name1,4,8,8a-tetrahydro-2,7-naphthyridine
PubChem CID123912397
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1,4,8,8a-tetrahydro-2,7-naphthyridine
SMILESC1=NCC2CN=CCC2=C1
InChIInChI=1S/C8H10N2/c1-3-9-5-8-6-10-4-2-7(1)8/h1,3-4,8H,2,5-6H2
InChIKeyJWSPKNILVUUIPI-UHFFFAOYSA-N
XLogP1.09
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2',3,3',4',5'-Hexa-hydro-3,4'-bipyridine
CID 129759174
3,4,4a,7-Tetrahydroisoquinoline
CID 53727755
4-propan-2-yl-3H-pyridin-1-ium
CID 57080011
3-(3,4-Dihydropyridin-5-yl)-2,3-dihydropyridine
CID 88987664
3,4,4a,5-Tetrahydro-1,6-naphthyridine
CID 90735924
4-Propan-2-yl-2,3-dihydropyridine
CID 90868879
2,3,7,8-Tetrahydro-1,6-naphthyridine
CID 90931696
4a,7,8,8a-Tetrahydro-1,6-naphthyridine
CID 91195647
2,3,5,8-Tetrahydro-1,7-naphthyridine
CID 91401775
3,4,6,8a-Tetrahydroisoquinoline
CID 91461835
1,4,6,8a-Tetrahydroisoquinoline
CID 91591645
6,8-Dichloro-1,4,8,8a-tetrahydro-2,7-naphthyridine
CID 123412809

Frequently Asked Questions

What is the IUPAC name of 1,4,8,8a-tetrahydro-2,7-naphthyridine?
The IUPAC name of 1,4,8,8a-tetrahydro-2,7-naphthyridine (CID 123912397) is 1,4,8,8a-tetrahydro-2,7-naphthyridine.
What is the SMILES notation for 1,4,8,8a-tetrahydro-2,7-naphthyridine?
The canonical SMILES for 1,4,8,8a-tetrahydro-2,7-naphthyridine is C1=NCC2CN=CCC2=C1.
What is the InChIKey of 1,4,8,8a-tetrahydro-2,7-naphthyridine?
The InChIKey is JWSPKNILVUUIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-3-9-5-8-6-10-4-2-7(1)8/h1,3-4,8H,2,5-6H2.
What are the key properties of 1,4,8,8a-tetrahydro-2,7-naphthyridine?
1,4,8,8a-tetrahydro-2,7-naphthyridine has a molecular weight of 134.18 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,8,8a-tetrahydro-2,7-naphthyridine is sourced from PubChem (CID 123912397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).