3a-(aminomethyl)-3,5-dimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one

C9H17N3O2 — CID 18685151

IUPAC3a-(aminomethyl)-3,5-dimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one
SMILESCN1CCC2OC(=O)N(C)C2(CN)C1
InChIInChI=1S/C9H17N3O2/c1-11-4-3-7-9(5-10,6-11)12(2)8(13)14-7/h7H,3-6,10H2,1-2H3
InChIKeyHKCYFIXHYGWSGU-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.53
Rot. Bonds1

About 3a-(aminomethyl)-3,5-dimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one

3a-(aminomethyl)-3,5-dimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one (PubChem CID 18685151) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3a-(aminomethyl)-3,5-dimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3a-(aminomethyl)-3,5-dimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one
PubChem CID18685151
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3a-(aminomethyl)-3,5-dimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one
SMILESCN1CCC2OC(=O)N(C)C2(CN)C1
InChIInChI=1S/C9H17N3O2/c1-11-4-3-7-9(5-10,6-11)12(2)8(13)14-7/h7H,3-6,10H2,1-2H3
InChIKeyHKCYFIXHYGWSGU-UHFFFAOYSA-N
XLogP-0.53
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3a-(aminomethyl)-3,5-dimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

rac-tert-butyl (4aR,7aS)-octahydropyrrolo[3,4-b]morpholine-6-carboxylate
CID 22875335
rac-tert-butyl (4aR,7aR)-octahydropyrrolo[3,4-b]morpholine-6-carboxylate
CID 67991858
rac-tert-butyl (4aR,7aS)-octahydropyrrolo[3,4-b][1,4]oxazine-4-carboxylate
CID 75531151
Tert-butyl octahydropyrrolo[3,4-b]morpholine-6-carboxylate
CID 19594630
3,3a,5-Trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 18685002
3a,5-dimethyl-4,6,7,7a-tetrahydro-3H-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 18685017
3,3a-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 18685051
3,5-Dimethyl-3a-[2-(methylamino)ethyl]-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 18685091
N-[2-(3,5-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]-N-methylacetamide
CID 18685180
N-methyl-N-[2-(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]acetamide
CID 18685186
(4AS,7AS)-Tert-butyl hexahydropyrrolo[3,4-B][1,4]oxazine-4(4AH)-carboxylate
CID 42632468
(3aR,7S)-7-methyl-3a,4,5,6,7,7a-hexahydro-3H-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 59226587

Frequently Asked Questions

What is the IUPAC name of 3a-(aminomethyl)-3,5-dimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one?
The IUPAC name of 3a-(aminomethyl)-3,5-dimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one (CID 18685151) is 3a-(aminomethyl)-3,5-dimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3a-(aminomethyl)-3,5-dimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one?
The canonical SMILES for 3a-(aminomethyl)-3,5-dimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one is CN1CCC2OC(=O)N(C)C2(CN)C1.
What is the InChIKey of 3a-(aminomethyl)-3,5-dimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one?
The InChIKey is HKCYFIXHYGWSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-11-4-3-7-9(5-10,6-11)12(2)8(13)14-7/h7H,3-6,10H2,1-2H3.
What are the key properties of 3a-(aminomethyl)-3,5-dimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one?
3a-(aminomethyl)-3,5-dimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one has a molecular weight of 199.25 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-(aminomethyl)-3,5-dimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one is sourced from PubChem (CID 18685151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).