4,4-dimethyl-1-(oxan-3-yl)pyrrolidin-3-ol

C11H21NO2 — CID 130909151

IUPAC4,4-dimethyl-1-(oxan-3-yl)pyrrolidin-3-ol
SMILESCC1(C)CN(C2CCCOC2)CC1O
InChIInChI=1S/C11H21NO2/c1-11(2)8-12(6-10(11)13)9-4-3-5-14-7-9/h9-10,13H,3-8H2,1-2H3
InChIKeyVKOQGLIYDHMLCB-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.87
Rot. Bonds1

About 4,4-dimethyl-1-(oxan-3-yl)pyrrolidin-3-ol

4,4-dimethyl-1-(oxan-3-yl)pyrrolidin-3-ol (PubChem CID 130909151) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4,4-dimethyl-1-(oxan-3-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(oxan-3-yl)pyrrolidin-3-ol
PubChem CID130909151
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4,4-dimethyl-1-(oxan-3-yl)pyrrolidin-3-ol
SMILESCC1(C)CN(C2CCCOC2)CC1O
InChIInChI=1S/C11H21NO2/c1-11(2)8-12(6-10(11)13)9-4-3-5-14-7-9/h9-10,13H,3-8H2,1-2H3
InChIKeyVKOQGLIYDHMLCB-UHFFFAOYSA-N
XLogP0.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-1-(oxan-3-yl)pyrrolidin-3-ol 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

4-methyl-1-(oxan-3-yl)piperidin-3-ol
CID 103898681
4-methyl-1-(oxan-3-yl)piperidine-4-carbothioamide
CID 107161415
4-methyl-1-[(3R)-oxan-3-yl]piperidine
CID 126716470
1,3,4,5,7,8,9,9a-octahydropyrrolo[2,1-c][1,4]oxazepine
CID 122672073
[1-methyl-4-(oxan-3-yl)piperazin-2-yl]methanol
CID 112710381
methyl 1-(oxan-3-yl)pyrrolidine-3-carboxylate
CID 103738651
8-(oxan-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 103738480
2,2-dimethyl-1-(oxan-3-yl)piperazine
CID 65460906
[4-(oxan-3-yl)morpholin-2-yl]methanol
CID 83831819
(12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane
CID 141070274
1-(oxan-3-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65069095
1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one
CID 175967093

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(oxan-3-yl)pyrrolidin-3-ol?
The IUPAC name of 4,4-dimethyl-1-(oxan-3-yl)pyrrolidin-3-ol (CID 130909151) is 4,4-dimethyl-1-(oxan-3-yl)pyrrolidin-3-ol.
What is the SMILES notation for 4,4-dimethyl-1-(oxan-3-yl)pyrrolidin-3-ol?
The canonical SMILES for 4,4-dimethyl-1-(oxan-3-yl)pyrrolidin-3-ol is CC1(C)CN(C2CCCOC2)CC1O.
What is the InChIKey of 4,4-dimethyl-1-(oxan-3-yl)pyrrolidin-3-ol?
The InChIKey is VKOQGLIYDHMLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2)8-12(6-10(11)13)9-4-3-5-14-7-9/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-(oxan-3-yl)pyrrolidin-3-ol?
4,4-dimethyl-1-(oxan-3-yl)pyrrolidin-3-ol has a molecular weight of 199.29 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(oxan-3-yl)pyrrolidin-3-ol is sourced from PubChem (CID 130909151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).