2,2-dimethylpyrrolidin-3-ol

C6H13NO — CID 71669042

IUPAC2,2-dimethylpyrrolidin-3-ol
SMILESCC1(C)NCCC1O
InChIInChI=1S/C6H13NO/c1-6(2)5(8)3-4-7-6/h5,7-8H,3-4H2,1-2H3
InChIKeyJDZXBVUTOWDOLV-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.12
Rot. Bonds

About 2,2-dimethylpyrrolidin-3-ol

2,2-dimethylpyrrolidin-3-ol (PubChem CID 71669042) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2,2-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name2,2-dimethylpyrrolidin-3-ol
PubChem CID71669042
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2,2-dimethylpyrrolidin-3-ol
SMILESCC1(C)NCCC1O
InChIInChI=1S/C6H13NO/c1-6(2)5(8)3-4-7-6/h5,7-8H,3-4H2,1-2H3
InChIKeyJDZXBVUTOWDOLV-UHFFFAOYSA-N
XLogP0.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-methylpyrrolidin-3-ol
CID 83826260
pyrrolidine-2,2,3-triol
CID 54103203
[(2R)-3,3-dimethylmorpholin-2-yl]methanol
CID 129408060
3-methylpiperidine-3,4-diol
CID 70672277
(3R)-1-[(3S)-2,2-dimethylpyrrolidin-3-yl]piperidin-3-ol
CID 100811160
2,2-dimethyl-3-pyrrolidin-1-ylpyrrolidine
CID 71669027
3-(cyclopropylmethyl)-2,2-dimethylpyrrolidine;hydrochloride
CID 121253817
2,2-dimethyl-3-(1-methylcyclohexyl)pyrrolidine
CID 131186368
(3R)-2-amino-2-[(2S)-2-hydroxypropyl]pyrrolidin-3-ol
CID 91464233
methyl 4-hydroxy-3-methylpiperidine-3-carboxylate
CID 66976940
2-cyclopentyl-2-methylpiperidin-3-ol
CID 115016550
2-cyclobutyl-2-methylpiperidin-3-ol
CID 115013634

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpyrrolidin-3-ol?
The IUPAC name of 2,2-dimethylpyrrolidin-3-ol (CID 71669042) is 2,2-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 2,2-dimethylpyrrolidin-3-ol?
The canonical SMILES for 2,2-dimethylpyrrolidin-3-ol is CC1(C)NCCC1O.
What is the InChIKey of 2,2-dimethylpyrrolidin-3-ol?
The InChIKey is JDZXBVUTOWDOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(2)5(8)3-4-7-6/h5,7-8H,3-4H2,1-2H3.
What are the key properties of 2,2-dimethylpyrrolidin-3-ol?
2,2-dimethylpyrrolidin-3-ol has a molecular weight of 115.18 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 71669042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).