5-(hydroxymethyl)-5-methylpyrrolidin-3-ol;hydrochloride

C6H14ClNO2 — CID 134690725

IUPAC5-(hydroxymethyl)-5-methylpyrrolidin-3-ol;hydrochloride
SMILESCC1(CO)CC(O)CN1.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-6(4-8)2-5(9)3-7-6;/h5,7-9H,2-4H2,1H3;1H
InChIKeyMHUHYMYNEMJWSW-UHFFFAOYSA-N
MW167.64 g/mol
LogP-0.49
Rot. Bonds1

About 5-(hydroxymethyl)-5-methylpyrrolidin-3-ol;hydrochloride

5-(hydroxymethyl)-5-methylpyrrolidin-3-ol;hydrochloride (PubChem CID 134690725) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is 5-(hydroxymethyl)-5-methylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name5-(hydroxymethyl)-5-methylpyrrolidin-3-ol;hydrochloride
PubChem CID134690725
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name5-(hydroxymethyl)-5-methylpyrrolidin-3-ol;hydrochloride
SMILESCC1(CO)CC(O)CN1.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-6(4-8)2-5(9)3-7-6;/h5,7-9H,2-4H2,1H3;1H
InChIKeyMHUHYMYNEMJWSW-UHFFFAOYSA-N
XLogP-0.49
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-5-methylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of 5-(hydroxymethyl)-5-methylpyrrolidin-3-ol;hydrochloride (CID 134690725) is 5-(hydroxymethyl)-5-methylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 5-(hydroxymethyl)-5-methylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 5-(hydroxymethyl)-5-methylpyrrolidin-3-ol;hydrochloride is CC1(CO)CC(O)CN1.Cl.
What is the InChIKey of 5-(hydroxymethyl)-5-methylpyrrolidin-3-ol;hydrochloride?
The InChIKey is MHUHYMYNEMJWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-6(4-8)2-5(9)3-7-6;/h5,7-9H,2-4H2,1H3;1H.
What are the key properties of 5-(hydroxymethyl)-5-methylpyrrolidin-3-ol;hydrochloride?
5-(hydroxymethyl)-5-methylpyrrolidin-3-ol;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of -0.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-5-methylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 134690725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).