(3-methylpyrrolidin-3-yl)methanol;hydrochloride

C6H14ClNO — CID 66653455

IUPAC(3-methylpyrrolidin-3-yl)methanol;hydrochloride
SMILESCC1(CO)CCNC1.Cl
InChIInChI=1S/C6H13NO.ClH/c1-6(5-8)2-3-7-4-6;/h7-8H,2-5H2,1H3;1H
InChIKeyGMJKCWLIAXOIEZ-UHFFFAOYSA-N
MW151.64 g/mol
LogP0.40
Rot. Bonds1

About (3-methylpyrrolidin-3-yl)methanol;hydrochloride

(3-methylpyrrolidin-3-yl)methanol;hydrochloride (PubChem CID 66653455) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is (3-methylpyrrolidin-3-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(3-methylpyrrolidin-3-yl)methanol;hydrochloride
PubChem CID66653455
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name(3-methylpyrrolidin-3-yl)methanol;hydrochloride
SMILESCC1(CO)CCNC1.Cl
InChIInChI=1S/C6H13NO.ClH/c1-6(5-8)2-3-7-4-6;/h7-8H,2-5H2,1H3;1H
InChIKeyGMJKCWLIAXOIEZ-UHFFFAOYSA-N
XLogP0.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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

D-beta-Prolinol
CID 7446913
(Pyrrolidin-3-yl)methanol
CID 13400657
(3-(Hydroxymethyl)pyrrolidin-3-yl)methanol
CID 22359935
(Pyrrolidin-3-yl)methanol hydrochloride
CID 23080030
(3S)-pyrrolidin-3-ylmethanol hydrochloride
CID 43810917
(3R)-pyrrolidin-3-ylmethanol hydrochloride
CID 43810918
rac-[(3R,4R)-4-methylpyrrolidin-3-yl]methanol
CID 49757939
(3-(Trifluoromethyl)pyrrolidin-3-yl)methanol hydrochloride
CID 53414538
3-(Methoxymethyl)-3-methylpyrrolidine hydrochloride
CID 67343930
4,4-Dimethylpyrrolidin-3-ol hydrochloride
CID 77201136
(3-(Methoxymethyl)pyrrolidin-3-yl)methanol
CID 103985007
(3-Fluoropyrrolidin-3-yl)methanol hydrochloride
CID 112756484

Frequently Asked Questions

What is the IUPAC name of (3-methylpyrrolidin-3-yl)methanol;hydrochloride?
The IUPAC name of (3-methylpyrrolidin-3-yl)methanol;hydrochloride (CID 66653455) is (3-methylpyrrolidin-3-yl)methanol;hydrochloride.
What is the SMILES notation for (3-methylpyrrolidin-3-yl)methanol;hydrochloride?
The canonical SMILES for (3-methylpyrrolidin-3-yl)methanol;hydrochloride is CC1(CO)CCNC1.Cl.
What is the InChIKey of (3-methylpyrrolidin-3-yl)methanol;hydrochloride?
The InChIKey is GMJKCWLIAXOIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-6(5-8)2-3-7-4-6;/h7-8H,2-5H2,1H3;1H.
What are the key properties of (3-methylpyrrolidin-3-yl)methanol;hydrochloride?
(3-methylpyrrolidin-3-yl)methanol;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrrolidin-3-yl)methanol;hydrochloride is sourced from PubChem (CID 66653455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).