3-Methylpyrrolidin-3-ol hydrochloride

C5H12ClNO — CID 53346559

IUPAC3-methylpyrrolidin-3-ol;hydrochloride
SMILESCC1(CCNC1)O.Cl
InChIInChI=1S/C5H11NO.ClH/c1-5(7)2-3-6-4-5;/h6-7H,2-4H2,1H3;1H
InChIKeyZDVCDFWGMDLBMU-UHFFFAOYSA-N
MW137.61 g/mol
LogP—
Rot. Bonds

About 3-Methylpyrrolidin-3-ol hydrochloride

3-Methylpyrrolidin-3-ol hydrochloride (PubChem CID 53346559) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is 3-methylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-Methylpyrrolidin-3-ol hydrochloride
PubChem CID53346559
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name3-methylpyrrolidin-3-ol;hydrochloride
SMILESCC1(CCNC1)O.Cl
InChIInChI=1S/C5H11NO.ClH/c1-5(7)2-3-6-4-5;/h6-7H,2-4H2,1H3;1H
InChIKeyZDVCDFWGMDLBMU-UHFFFAOYSA-N
XLogP—
TPSA32.30 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity74

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Trifluoromethyl)pyrrolidin-3-ol
CID 50990624
3-Methylpyrrolidin-3-ol
CID 14578458
3-(Trifluoromethyl)pyrrolidin-3-ol hydrochloride
CID 54594885
(3R)-3-Methylpyrrolidin-3-ol
CID 55288331
3-(Propan-2-yl)pyrrolidin-3-ol hydrochloride
CID 57497866
3-Ethylpyrrolidin-3-ol
CID 57601815
rac-(3R,4S)-4-methylpyrrolidin-3-ol hydrochloride
CID 67314254
4-Methylpyrrolidin-3-ol hydrochloride
CID 67314255
(3S,4R)-4-methylpyrrolidin-3-ol hydrochloride
CID 67314256
rac-(3R,4R)-4-methylpyrrolidin-3-ol hydrochloride
CID 67314821
4,4-Dimethylpyrrolidin-3-ol hydrochloride
CID 77201136
3-Methoxy-3-methylpyrrolidine hydrochloride
CID 91663056

Frequently Asked Questions

What is the IUPAC name of 3-Methylpyrrolidin-3-ol hydrochloride?
The IUPAC name of 3-Methylpyrrolidin-3-ol hydrochloride (CID 53346559) is 3-methylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 3-Methylpyrrolidin-3-ol hydrochloride?
The canonical SMILES for 3-Methylpyrrolidin-3-ol hydrochloride is CC1(CCNC1)O.Cl.
What is the InChIKey of 3-Methylpyrrolidin-3-ol hydrochloride?
The InChIKey is ZDVCDFWGMDLBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c1-5(7)2-3-6-4-5;/h6-7H,2-4H2,1H3;1H.
What are the key properties of 3-Methylpyrrolidin-3-ol hydrochloride?
3-Methylpyrrolidin-3-ol hydrochloride has a molecular weight of 137.61 g/mol, XLogP of not available, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Methylpyrrolidin-3-ol hydrochloride is sourced from PubChem (CID 53346559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).