3-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-ol

C12H23NO3 — CID 103358054

IUPAC3-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-ol
SMILESCC1(O)CCN(CCOC2CCCCO2)C1
InChIInChI=1S/C12H23NO3/c1-12(14)5-6-13(10-12)7-9-16-11-4-2-3-8-15-11/h11,14H,2-10H2,1H3
InChIKeyUHTYMFQAYHVQSP-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.99
Rot. Bonds4

About 3-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-ol

3-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-ol (PubChem CID 103358054) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-ol
PubChem CID103358054
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name3-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-ol
SMILESCC1(O)CCN(CCOC2CCCCO2)C1
InChIInChI=1S/C12H23NO3/c1-12(14)5-6-13(10-12)7-9-16-11-4-2-3-8-15-11/h11,14H,2-10H2,1H3
InChIKeyUHTYMFQAYHVQSP-UHFFFAOYSA-N
XLogP0.99
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-[2-(oxan-2-yloxy)ethyl]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

[(3R)-3-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-3-yl]methanol
CID 124863525
2-[4-[2-(oxan-2-yloxy)ethyl]-1,4-diazepan-1-yl]ethanol
CID 63312916
N-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-amine
CID 115300577
2-[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-yl]ethanol
CID 114799729
2,2-dimethoxy-1-[4-[2-[(2R)-oxan-2-yl]oxyethyl]piperazin-1-yl]ethanone
CID 164633078
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-2-yl]methanol
CID 62013774
(5R)-6-[2-[(2S)-oxan-2-yl]oxyethyl]-2,9-dioxa-6-azaspiro[4.5]decane
CID 124830345
1-(oxan-2-yloxymethyl)cyclobutan-1-ol
CID 175776398
2-(2-methylsulfinylethoxy)oxane
CID 139397304
trimethyl-[13-(oxan-2-yloxy)tridecyl]silane
CID 86200856
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-ol (CID 103358054) is 3-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-ol is CC1(O)CCN(CCOC2CCCCO2)C1.
What is the InChIKey of 3-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-ol?
The InChIKey is UHTYMFQAYHVQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(14)5-6-13(10-12)7-9-16-11-4-2-3-8-15-11/h11,14H,2-10H2,1H3.
What are the key properties of 3-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-ol?
3-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-ol has a molecular weight of 229.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 103358054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).