1-(2,2-dimethylpyrrolidin-1-yl)-3-methoxypropan-2-ol

C10H21NO2 — CID 63930043

IUPAC1-(2,2-dimethylpyrrolidin-1-yl)-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCCC1(C)C
InChIInChI=1S/C10H21NO2/c1-10(2)5-4-6-11(10)7-9(12)8-13-3/h9,12H,4-8H2,1-3H3
InChIKeyLIIGDTCYWBSNOC-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.87
Rot. Bonds4

About 1-(2,2-dimethylpyrrolidin-1-yl)-3-methoxypropan-2-ol

1-(2,2-dimethylpyrrolidin-1-yl)-3-methoxypropan-2-ol (PubChem CID 63930043) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-(2,2-dimethylpyrrolidin-1-yl)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(2,2-dimethylpyrrolidin-1-yl)-3-methoxypropan-2-ol
PubChem CID63930043
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-(2,2-dimethylpyrrolidin-1-yl)-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCCC1(C)C
InChIInChI=1S/C10H21NO2/c1-10(2)5-4-6-11(10)7-9(12)8-13-3/h9,12H,4-8H2,1-3H3
InChIKeyLIIGDTCYWBSNOC-UHFFFAOYSA-N
XLogP0.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(3R,4R)-3-ethyl-4-fluoropyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 172367323
1-[2,2-Dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-3-ethoxypropan-2-ol
CID 113760131
1-(3-Fluoro-2-hydroxypropyl)-2,2-dimethylpyrrolidin-3-ol
CID 131048283
1-Methoxy-3-(2,2,4-trimethylpyrrolidin-1-yl)propan-2-ol
CID 71864967
1-Butoxy-3-(2-methylpyrrolidin-1-yl)propan-2-ol
CID 3125914
1-Methoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 13914764
[2,3-Dimethyl-2-(2-methylpropyl)-1,3-oxazolidin-5-yl]methanol
CID 20583766
(3R,4R)-1-tert-butylpyrrolidine-3,4-diol
CID 57545666
1-Tert-butylpyrrolidine-3,4-diol
CID 57643209
(2R)-1-methoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 58651256
(3S,4R)-1-tert-butylpyrrolidine-3,4-diol
CID 58959474
(3R,4S)-1-tert-butyl-4-propan-2-yloxypyrrolidin-3-ol
CID 58959504

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpyrrolidin-1-yl)-3-methoxypropan-2-ol?
The IUPAC name of 1-(2,2-dimethylpyrrolidin-1-yl)-3-methoxypropan-2-ol (CID 63930043) is 1-(2,2-dimethylpyrrolidin-1-yl)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(2,2-dimethylpyrrolidin-1-yl)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(2,2-dimethylpyrrolidin-1-yl)-3-methoxypropan-2-ol is COCC(O)CN1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylpyrrolidin-1-yl)-3-methoxypropan-2-ol?
The InChIKey is LIIGDTCYWBSNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2)5-4-6-11(10)7-9(12)8-13-3/h9,12H,4-8H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpyrrolidin-1-yl)-3-methoxypropan-2-ol?
1-(2,2-dimethylpyrrolidin-1-yl)-3-methoxypropan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpyrrolidin-1-yl)-3-methoxypropan-2-ol is sourced from PubChem (CID 63930043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).