4,4-dimethylpyrrolidin-3-ol;hydrochloride

C6H14ClNO — CID 77201136

IUPAC4,4-dimethylpyrrolidin-3-ol;hydrochloride
SMILESCC1(C)CNCC1O.Cl
InChIInChI=1S/C6H13NO.ClH/c1-6(2)4-7-3-5(6)8;/h5,7-8H,3-4H2,1-2H3;1H
InChIKeyCJEZDLLOUKRCJG-UHFFFAOYSA-N
MW151.64 g/mol
LogP0.40
Rot. Bonds

About 4,4-dimethylpyrrolidin-3-ol;hydrochloride

4,4-dimethylpyrrolidin-3-ol;hydrochloride (PubChem CID 77201136) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is 4,4-dimethylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name4,4-dimethylpyrrolidin-3-ol;hydrochloride
PubChem CID77201136
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name4,4-dimethylpyrrolidin-3-ol;hydrochloride
SMILESCC1(C)CNCC1O.Cl
InChIInChI=1S/C6H13NO.ClH/c1-6(2)4-7-3-5(6)8;/h5,7-8H,3-4H2,1-2H3;1H
InChIKeyCJEZDLLOUKRCJG-UHFFFAOYSA-N
XLogP0.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxypyrrolidine
CID 98210
(3S)-pyrrolidin-3-ol
CID 2733874
(3R)-pyrrolidin-3-ol hydrochloride
CID 2759336
(R)-3-Pyrrolidinol
CID 2759337
3-Hydroxypyrrolidine hydrochloride
CID 2769408
3,3-Dimethyl-1-(methylamino)-2-butanol
CID 15635078
(S)-3-Hydroxypyrrolidine hydrochloride
CID 22309122
4-Methylpyrrolidin-3-ol
CID 19883347
3-Methylpyrrolidin-3-ol hydrochloride
CID 53346559
(3-Methylpyrrolidin-3-yl)methanol hydrochloride
CID 66653455
5-Azaspiro[2.4]heptan-7-ol hydrochloride
CID 66935992
rac-(3R,4S)-4-methylpyrrolidin-3-ol hydrochloride
CID 67314254

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of 4,4-dimethylpyrrolidin-3-ol;hydrochloride (CID 77201136) is 4,4-dimethylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 4,4-dimethylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 4,4-dimethylpyrrolidin-3-ol;hydrochloride is CC1(C)CNCC1O.Cl.
What is the InChIKey of 4,4-dimethylpyrrolidin-3-ol;hydrochloride?
The InChIKey is CJEZDLLOUKRCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-6(2)4-7-3-5(6)8;/h5,7-8H,3-4H2,1-2H3;1H.
What are the key properties of 4,4-dimethylpyrrolidin-3-ol;hydrochloride?
4,4-dimethylpyrrolidin-3-ol;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 77201136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).