2,3,4,7-tetrahydro-2,7-naphthyridine-1,6-dione

C8H8N2O2 — CID 165386444

IUPAC2,3,4,7-tetrahydro-2,7-naphthyridine-1,6-dione
SMILESO=C1NCCc2cc(=O)[nH]cc21
InChIInChI=1S/C8H8N2O2/c11-7-3-5-1-2-9-8(12)6(5)4-10-7/h3-4H,1-2H2,(H,9,12)(H,10,11)
InChIKeySUHVAPIVXDBTEC-UHFFFAOYSA-N
MW164.16 g/mol
LogP-0.34
Rot. Bonds

About 2,3,4,7-tetrahydro-2,7-naphthyridine-1,6-dione

2,3,4,7-tetrahydro-2,7-naphthyridine-1,6-dione (PubChem CID 165386444) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2,3,4,7-tetrahydro-2,7-naphthyridine-1,6-dione.

Molecular Properties

Compound Name2,3,4,7-tetrahydro-2,7-naphthyridine-1,6-dione
PubChem CID165386444
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name2,3,4,7-tetrahydro-2,7-naphthyridine-1,6-dione
SMILESO=C1NCCc2cc(=O)[nH]cc21
InChIInChI=1S/C8H8N2O2/c11-7-3-5-1-2-9-8(12)6(5)4-10-7/h3-4H,1-2H2,(H,9,12)(H,10,11)
InChIKeySUHVAPIVXDBTEC-UHFFFAOYSA-N
XLogP-0.34
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,7-tetrahydro-2,7-naphthyridine-1,6-dione?
The IUPAC name of 2,3,4,7-tetrahydro-2,7-naphthyridine-1,6-dione (CID 165386444) is 2,3,4,7-tetrahydro-2,7-naphthyridine-1,6-dione.
What is the SMILES notation for 2,3,4,7-tetrahydro-2,7-naphthyridine-1,6-dione?
The canonical SMILES for 2,3,4,7-tetrahydro-2,7-naphthyridine-1,6-dione is O=C1NCCc2cc(=O)[nH]cc21.
What is the InChIKey of 2,3,4,7-tetrahydro-2,7-naphthyridine-1,6-dione?
The InChIKey is SUHVAPIVXDBTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-7-3-5-1-2-9-8(12)6(5)4-10-7/h3-4H,1-2H2,(H,9,12)(H,10,11).
What are the key properties of 2,3,4,7-tetrahydro-2,7-naphthyridine-1,6-dione?
2,3,4,7-tetrahydro-2,7-naphthyridine-1,6-dione has a molecular weight of 164.16 g/mol, XLogP of -0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,7-tetrahydro-2,7-naphthyridine-1,6-dione is sourced from PubChem (CID 165386444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).