1-oxido-3,4-dihydro-1H-1,8-naphthyridin-1-ium-2-one

C8H8N2O2 — CID 171934027

IUPAC1-oxido-3,4-dihydro-1H-1,8-naphthyridin-1-ium-2-one
SMILESO=C1CCc2cccnc2[NH+]1[O-]
InChIInChI=1S/C8H8N2O2/c11-7-4-3-6-2-1-5-9-8(6)10(7)12/h1-2,5,10H,3-4H2
InChIKeyASMGSAANNHMIGP-UHFFFAOYSA-N
MW164.16 g/mol
LogP-0.43
Rot. Bonds

About 1-oxido-3,4-dihydro-1H-1,8-naphthyridin-1-ium-2-one

1-oxido-3,4-dihydro-1H-1,8-naphthyridin-1-ium-2-one (PubChem CID 171934027) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 1-oxido-3,4-dihydro-1H-1,8-naphthyridin-1-ium-2-one.

Molecular Properties

Compound Name1-oxido-3,4-dihydro-1H-1,8-naphthyridin-1-ium-2-one
PubChem CID171934027
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name1-oxido-3,4-dihydro-1H-1,8-naphthyridin-1-ium-2-one
SMILESO=C1CCc2cccnc2[NH+]1[O-]
InChIInChI=1S/C8H8N2O2/c11-7-4-3-6-2-1-5-9-8(6)10(7)12/h1-2,5,10H,3-4H2
InChIKeyASMGSAANNHMIGP-UHFFFAOYSA-N
XLogP-0.43
TPSA57.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one
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azane;phosphane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 175101128
1H-pyrimidin-2-one;1,2,3,4-tetrahydronaphthalene
CID 158350517
3,4-dihydro-1,8-naphthyridin-2-ylmethanol
CID 150263417
3-azatetracyclo[18.3.1.113,17.02,7]pentacosa-1(23),2(7),3,5,13,15,17(25),20(24),21-nonaen-12-one
CID 170315076
7-iodo-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
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N-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-imine
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CID 11063497

Frequently Asked Questions

What is the IUPAC name of 1-oxido-3,4-dihydro-1H-1,8-naphthyridin-1-ium-2-one?
The IUPAC name of 1-oxido-3,4-dihydro-1H-1,8-naphthyridin-1-ium-2-one (CID 171934027) is 1-oxido-3,4-dihydro-1H-1,8-naphthyridin-1-ium-2-one.
What is the SMILES notation for 1-oxido-3,4-dihydro-1H-1,8-naphthyridin-1-ium-2-one?
The canonical SMILES for 1-oxido-3,4-dihydro-1H-1,8-naphthyridin-1-ium-2-one is O=C1CCc2cccnc2[NH+]1[O-].
What is the InChIKey of 1-oxido-3,4-dihydro-1H-1,8-naphthyridin-1-ium-2-one?
The InChIKey is ASMGSAANNHMIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-7-4-3-6-2-1-5-9-8(6)10(7)12/h1-2,5,10H,3-4H2.
What are the key properties of 1-oxido-3,4-dihydro-1H-1,8-naphthyridin-1-ium-2-one?
1-oxido-3,4-dihydro-1H-1,8-naphthyridin-1-ium-2-one has a molecular weight of 164.16 g/mol, XLogP of -0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-3,4-dihydro-1H-1,8-naphthyridin-1-ium-2-one is sourced from PubChem (CID 171934027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).