1,5-dimethyl-3-(oxan-3-yl)pyrrolidin-3-ol

C11H21NO2 — CID 107135663

IUPAC1,5-dimethyl-3-(oxan-3-yl)pyrrolidin-3-ol
SMILESCC1CC(O)(C2CCCOC2)CN1C
InChIInChI=1S/C11H21NO2/c1-9-6-11(13,8-12(9)2)10-4-3-5-14-7-10/h9-10,13H,3-8H2,1-2H3
InChIKeyIJHWMMUYZIOEAB-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.87
Rot. Bonds1

About 1,5-dimethyl-3-(oxan-3-yl)pyrrolidin-3-ol

1,5-dimethyl-3-(oxan-3-yl)pyrrolidin-3-ol (PubChem CID 107135663) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1,5-dimethyl-3-(oxan-3-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1,5-dimethyl-3-(oxan-3-yl)pyrrolidin-3-ol
PubChem CID107135663
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1,5-dimethyl-3-(oxan-3-yl)pyrrolidin-3-ol
SMILESCC1CC(O)(C2CCCOC2)CN1C
InChIInChI=1S/C11H21NO2/c1-9-6-11(13,8-12(9)2)10-4-3-5-14-7-10/h9-10,13H,3-8H2,1-2H3
InChIKeyIJHWMMUYZIOEAB-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 1,5-dimethyl-3-(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-(oxan-3-yl)piperidin-4-ol
CID 107135511
3-methyl-1-(oxan-3-yl)cyclohexane-1-carboxylic acid
CID 107137942
2-methyl-1-(oxan-3-yl)cyclopropan-1-amine
CID 79332209
2-(oxan-3-yl)-1,3-dihydroinden-2-ol
CID 107135477
2-methylsulfonyl-1-(oxan-3-yl)cyclopentan-1-ol
CID 107135594
(3R)-3,4-dimethyl-1,4-oxazepane
CID 67472015
3-isocyanato-1-methyl-3-(oxan-3-yl)cyclobutan-1-ol
CID 115027368
3-hydroxy-3-methyl-1-(oxan-3-yl)cyclobutane-1-carboxylic acid
CID 115028730
3-(cyclopentylmethyl)-1,5-dimethylpyrrolidin-3-ol
CID 81467530
3-methyloxane;oxolane
CID 139878979
ethane;(3S)-3-methyloxane;sulfane
CID 158056662
3-methyloxane;1-methylpiperidine
CID 142590694

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(oxan-3-yl)pyrrolidin-3-ol?
The IUPAC name of 1,5-dimethyl-3-(oxan-3-yl)pyrrolidin-3-ol (CID 107135663) is 1,5-dimethyl-3-(oxan-3-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1,5-dimethyl-3-(oxan-3-yl)pyrrolidin-3-ol?
The canonical SMILES for 1,5-dimethyl-3-(oxan-3-yl)pyrrolidin-3-ol is CC1CC(O)(C2CCCOC2)CN1C.
What is the InChIKey of 1,5-dimethyl-3-(oxan-3-yl)pyrrolidin-3-ol?
The InChIKey is IJHWMMUYZIOEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9-6-11(13,8-12(9)2)10-4-3-5-14-7-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 1,5-dimethyl-3-(oxan-3-yl)pyrrolidin-3-ol?
1,5-dimethyl-3-(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 1,5-dimethyl-3-(oxan-3-yl)pyrrolidin-3-ol is sourced from PubChem (CID 107135663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).