4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-2-one

C8H12N2O — CID 91123654

IUPAC4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-2-one
SMILESO=C1C=CC2CNCCC2N1
InChIInChI=1S/C8H12N2O/c11-8-2-1-6-5-9-4-3-7(6)10-8/h1-2,6-7,9H,3-5H2,(H,10,11)
InChIKeyPCROWCBUIKNHKB-UHFFFAOYSA-N
MW152.20 g/mol
LogP-0.35
Rot. Bonds

About 4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-2-one

4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-2-one (PubChem CID 91123654) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-2-one
PubChem CID91123654
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-2-one
SMILESO=C1C=CC2CNCCC2N1
InChIInChI=1S/C8H12N2O/c11-8-2-1-6-5-9-4-3-7(6)10-8/h1-2,6-7,9H,3-5H2,(H,10,11)
InChIKeyPCROWCBUIKNHKB-UHFFFAOYSA-N
XLogP-0.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline
CID 139448431
1,2,3,4,4a,10b-hexahydrobenzo[f]isoquinoline
CID 67822854
(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one
CID 82416611
2,3,3a,4,5,6,7,7a-octahydro-1H-triazolo[4,5-c]pyridine
CID 135382309
(4aR,8aR)-4a,5,6,7,8,8a-hexahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 86318590
(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-pyrido[4,3-d]pyrimidin-2-one;hydrochloride
CID 154847327
4a,5,6,7,8,8a-hexahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 52987586
2,3,3a,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-ylidenemethanone
CID 141000711
(4aS)-4a,5,6,7,8,8a-hexahydro-1H-pyrido[3,4-b][1,4]oxazin-2-one
CID 121288212
(4aS,10bR)-8-methyl-1,2,3,4,4a,10b-hexahydrobenzo[f]isoquinoline
CID 12850461
(4aR,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrido[4,3-d][1,3]oxazin-2-one;hydrochloride
CID 139531321
(3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-2-one;hydrochloride
CID 139034640

Frequently Asked Questions

What is the IUPAC name of 4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-2-one?
The IUPAC name of 4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-2-one (CID 91123654) is 4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-2-one is O=C1C=CC2CNCCC2N1.
What is the InChIKey of 4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-2-one?
The InChIKey is PCROWCBUIKNHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c11-8-2-1-6-5-9-4-3-7(6)10-8/h1-2,6-7,9H,3-5H2,(H,10,11).
What are the key properties of 4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-2-one?
4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-2-one has a molecular weight of 152.20 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 91123654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).