4,6-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole

C9H17NO — CID 83905168

IUPAC4,6-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole
SMILESCC1CC2NCCC2C(C)O1
InChIInChI=1S/C9H17NO/c1-6-5-9-8(3-4-10-9)7(2)11-6/h6-10H,3-5H2,1-2H3
InChIKeyCMTAFRYBNYTYLA-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.16
Rot. Bonds

About 4,6-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole

4,6-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole (PubChem CID 83905168) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4,6-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole.

Molecular Properties

Compound Name4,6-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole
PubChem CID83905168
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4,6-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole
SMILESCC1CC2NCCC2C(C)O1
InChIInChI=1S/C9H17NO/c1-6-5-9-8(3-4-10-9)7(2)11-6/h6-10H,3-5H2,1-2H3
InChIKeyCMTAFRYBNYTYLA-UHFFFAOYSA-N
XLogP1.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,6-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole 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

(1S,5S,6R)-6-fluoro-2-azabicyclo[3.2.0]heptane
CID 170917898
(4S,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 102173535
2-azabicyclo[4.1.0]heptan-5-ol;hydrochloride
CID 155894479
(1S,5R)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride
CID 155891448
(2R,6R)-4-chloro-2,6-dimethyloxane
CID 124564332
2-(2-methyloxolan-3-yl)pyrrolidine
CID 81147050
2,3,3a,4,5,6,7,7a-octahydro-1H-indole-4,5,6-triol
CID 85299300
4-ethyl-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydropyrrolo[3,2-e]indole
CID 172555806
(2S)-2,5-dimethyloxolane
CID 118613003
(2S)-2-(2-methylcyclopropyl)pyrrolidine
CID 134335415
(2S,3R)-2,3,4,6-tetramethyloxane
CID 162125825
2,6-dimethyloxane;2,4-dimethyloxetane;2,5-dimethyloxolane
CID 162224348

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole?
The IUPAC name of 4,6-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole (CID 83905168) is 4,6-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole.
What is the SMILES notation for 4,6-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole?
The canonical SMILES for 4,6-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole is CC1CC2NCCC2C(C)O1.
What is the InChIKey of 4,6-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole?
The InChIKey is CMTAFRYBNYTYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-6-5-9-8(3-4-10-9)7(2)11-6/h6-10H,3-5H2,1-2H3.
What are the key properties of 4,6-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole?
4,6-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole has a molecular weight of 155.24 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole is sourced from PubChem (CID 83905168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).