[2-(hydroxymethyl)-3,3-dimethyl-4-pyrrolidin-1-ylcyclobutyl]methanol

C12H23NO2 — CID 154094879

IUPAC[2-(hydroxymethyl)-3,3-dimethyl-4-pyrrolidin-1-ylcyclobutyl]methanol
SMILESCC1(C)C(CO)C(CO)C1N1CCCC1
InChIInChI=1S/C12H23NO2/c1-12(2)10(8-15)9(7-14)11(12)13-5-3-4-6-13/h9-11,14-15H,3-8H2,1-2H3
InChIKeyCQCXEWVJGZBNDQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.71
Rot. Bonds3

About [2-(hydroxymethyl)-3,3-dimethyl-4-pyrrolidin-1-ylcyclobutyl]methanol

[2-(hydroxymethyl)-3,3-dimethyl-4-pyrrolidin-1-ylcyclobutyl]methanol (PubChem CID 154094879) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is [2-(hydroxymethyl)-3,3-dimethyl-4-pyrrolidin-1-ylcyclobutyl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-3,3-dimethyl-4-pyrrolidin-1-ylcyclobutyl]methanol
PubChem CID154094879
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name[2-(hydroxymethyl)-3,3-dimethyl-4-pyrrolidin-1-ylcyclobutyl]methanol
SMILESCC1(C)C(CO)C(CO)C1N1CCCC1
InChIInChI=1S/C12H23NO2/c1-12(2)10(8-15)9(7-14)11(12)13-5-3-4-6-13/h9-11,14-15H,3-8H2,1-2H3
InChIKeyCQCXEWVJGZBNDQ-UHFFFAOYSA-N
XLogP0.71
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(Dimethylamino)-4-(hydroxymethyl)-3,3-dimethylcyclobutyl]methanol
CID 314222
(1,4-Ditert-butylpyrrolidin-2-yl)methanol
CID 90348353
[(5S)-1,5-ditert-butylpyrrolidin-3-yl]methanol
CID 123267586
[(3R)-3-methyl-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol
CID 130232268
6-Propan-2-yl-6-azaspiro[3.4]octan-2-ol
CID 134452217
[(2R,4R)-1,4-ditert-butylpyrrolidin-2-yl]methanol
CID 153493622
[(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol
CID 157112904
[(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol
CID 157112913
[(3S,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol
CID 158126110
[(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol
CID 158126117
[3-(Hydroxymethyl)-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol
CID 167360167
Ethane;6-methyl-6-azaspiro[3.4]octan-3-ol
CID 169236329

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-3,3-dimethyl-4-pyrrolidin-1-ylcyclobutyl]methanol?
The IUPAC name of [2-(hydroxymethyl)-3,3-dimethyl-4-pyrrolidin-1-ylcyclobutyl]methanol (CID 154094879) is [2-(hydroxymethyl)-3,3-dimethyl-4-pyrrolidin-1-ylcyclobutyl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-3,3-dimethyl-4-pyrrolidin-1-ylcyclobutyl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-3,3-dimethyl-4-pyrrolidin-1-ylcyclobutyl]methanol is CC1(C)C(CO)C(CO)C1N1CCCC1.
What is the InChIKey of [2-(hydroxymethyl)-3,3-dimethyl-4-pyrrolidin-1-ylcyclobutyl]methanol?
The InChIKey is CQCXEWVJGZBNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2)10(8-15)9(7-14)11(12)13-5-3-4-6-13/h9-11,14-15H,3-8H2,1-2H3.
What are the key properties of [2-(hydroxymethyl)-3,3-dimethyl-4-pyrrolidin-1-ylcyclobutyl]methanol?
[2-(hydroxymethyl)-3,3-dimethyl-4-pyrrolidin-1-ylcyclobutyl]methanol has a molecular weight of 213.32 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-3,3-dimethyl-4-pyrrolidin-1-ylcyclobutyl]methanol is sourced from PubChem (CID 154094879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).