3a,4,5,6,7,7a-hexahydro-[1,2]oxazolo[5,4-c]pyridin-3-one

C6H10N2O2 — CID 13493108

IUPAC3a,4,5,6,7,7a-hexahydro-[1,2]oxazolo[5,4-c]pyridin-3-one
SMILESO=C1NOC2CNCCC12
InChIInChI=1S/C6H10N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h4-5,7H,1-3H2,(H,8,9)
InChIKeyOIEMJXVYQIDRKW-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.97
Rot. Bonds

About 3a,4,5,6,7,7a-hexahydro-[1,2]oxazolo[5,4-c]pyridin-3-one

3a,4,5,6,7,7a-hexahydro-[1,2]oxazolo[5,4-c]pyridin-3-one (PubChem CID 13493108) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 3a,4,5,6,7,7a-hexahydro-[1,2]oxazolo[5,4-c]pyridin-3-one.

Molecular Properties

Compound Name3a,4,5,6,7,7a-hexahydro-[1,2]oxazolo[5,4-c]pyridin-3-one
PubChem CID13493108
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name3a,4,5,6,7,7a-hexahydro-[1,2]oxazolo[5,4-c]pyridin-3-one
SMILESO=C1NOC2CNCCC12
InChIInChI=1S/C6H10N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h4-5,7H,1-3H2,(H,8,9)
InChIKeyOIEMJXVYQIDRKW-UHFFFAOYSA-N
XLogP-0.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4,4a,7a-hexahydrocyclopenta[c]pyridine-5,7-dione
CID 13211069
(4aS)-4a,5,6,7,8,8a-hexahydro-1H-pyrido[3,4-b][1,4]oxazin-2-one
CID 121288212
(4aR,8aR)-4a,5,6,7,8,8a-hexahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 86318590
4a,5,6,7,8,8a-hexahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 52987586
2,3,4,4a,6,7,8,8a-octahydro-1H-isoquinolin-5-one;hydrochloride
CID 146155403
(3aR,7aR)-2-(cyclopropylmethyl)-3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione
CID 129493814
(4aS,8aR)-1-methyl-4a,5,6,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;hydrochloride
CID 126969598
5,6,7,7a-tetrahydro-4aH-[1,4]dioxino[2,3-c]pyrrole-2,3-dione
CID 117274137
4a,5,6,7,8,8a-hexahydro-4H-pyrido[4,3-b][1,4]oxazin-3-one;molecular hydrogen
CID 157231953
3-bromo-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-2-one
CID 58430301
3-cyclopropylpiperidin-4-one
CID 130812685
1-pyrrolidin-3-ylazepane-2,7-dione
CID 62329466

Frequently Asked Questions

What is the IUPAC name of 3a,4,5,6,7,7a-hexahydro-[1,2]oxazolo[5,4-c]pyridin-3-one?
The IUPAC name of 3a,4,5,6,7,7a-hexahydro-[1,2]oxazolo[5,4-c]pyridin-3-one (CID 13493108) is 3a,4,5,6,7,7a-hexahydro-[1,2]oxazolo[5,4-c]pyridin-3-one.
What is the SMILES notation for 3a,4,5,6,7,7a-hexahydro-[1,2]oxazolo[5,4-c]pyridin-3-one?
The canonical SMILES for 3a,4,5,6,7,7a-hexahydro-[1,2]oxazolo[5,4-c]pyridin-3-one is O=C1NOC2CNCCC12.
What is the InChIKey of 3a,4,5,6,7,7a-hexahydro-[1,2]oxazolo[5,4-c]pyridin-3-one?
The InChIKey is OIEMJXVYQIDRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h4-5,7H,1-3H2,(H,8,9).
What are the key properties of 3a,4,5,6,7,7a-hexahydro-[1,2]oxazolo[5,4-c]pyridin-3-one?
3a,4,5,6,7,7a-hexahydro-[1,2]oxazolo[5,4-c]pyridin-3-one has a molecular weight of 142.16 g/mol, XLogP of -0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,5,6,7,7a-hexahydro-[1,2]oxazolo[5,4-c]pyridin-3-one is sourced from PubChem (CID 13493108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).