1,2,3,4,8,8a-hexahydro-1,6-naphthyridin-6-ium

C8H13N2+ — CID 173071640

IUPAC1,2,3,4,8,8a-hexahydro-1,6-naphthyridin-6-ium
SMILESC1=[NH+]C=C2CCCNC2C1
InChIInChI=1S/C8H12N2/c1-2-7-6-9-5-3-8(7)10-4-1/h5-6,8,10H,1-4H2/p+1
InChIKeyUDZODDFTAJDFEC-UHFFFAOYSA-O
MW137.21 g/mol
LogP-0.82
Rot. Bonds

About 1,2,3,4,8,8a-hexahydro-1,6-naphthyridin-6-ium

1,2,3,4,8,8a-hexahydro-1,6-naphthyridin-6-ium (PubChem CID 173071640) has the molecular formula C8H13N2+ and a molecular weight of 137.21 g/mol. Its IUPAC name is 1,2,3,4,8,8a-hexahydro-1,6-naphthyridin-6-ium.

Molecular Properties

Compound Name1,2,3,4,8,8a-hexahydro-1,6-naphthyridin-6-ium
PubChem CID173071640
Molecular FormulaC8H13N2+
Molecular Weight137.21 g/mol
Exact Mass137.11
IUPAC Name1,2,3,4,8,8a-hexahydro-1,6-naphthyridin-6-ium
SMILESC1=[NH+]C=C2CCCNC2C1
InChIInChI=1S/C8H12N2/c1-2-7-6-9-5-3-8(7)10-4-1/h5-6,8,10H,1-4H2/p+1
InChIKeyUDZODDFTAJDFEC-UHFFFAOYSA-O
XLogP-0.82
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,8,8a-hexahydro-1,6-naphthyridin-6-ium?
The IUPAC name of 1,2,3,4,8,8a-hexahydro-1,6-naphthyridin-6-ium (CID 173071640) is 1,2,3,4,8,8a-hexahydro-1,6-naphthyridin-6-ium.
What is the SMILES notation for 1,2,3,4,8,8a-hexahydro-1,6-naphthyridin-6-ium?
The canonical SMILES for 1,2,3,4,8,8a-hexahydro-1,6-naphthyridin-6-ium is C1=[NH+]C=C2CCCNC2C1.
What is the InChIKey of 1,2,3,4,8,8a-hexahydro-1,6-naphthyridin-6-ium?
The InChIKey is UDZODDFTAJDFEC-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H12N2/c1-2-7-6-9-5-3-8(7)10-4-1/h5-6,8,10H,1-4H2/p+1.
What are the key properties of 1,2,3,4,8,8a-hexahydro-1,6-naphthyridin-6-ium?
1,2,3,4,8,8a-hexahydro-1,6-naphthyridin-6-ium has a molecular weight of 137.21 g/mol, XLogP of -0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,8,8a-hexahydro-1,6-naphthyridin-6-ium is sourced from PubChem (CID 173071640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).