[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol

C7H15NO2 — CID 15107440

IUPAC[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol
SMILESCN1CCC(CO)(CO)C1
InChIInChI=1S/C7H15NO2/c1-8-3-2-7(4-8,5-9)6-10/h9-10H,2-6H2,1H3
InChIKeyDSAVPMNSFNVXLR-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.71
Rot. Bonds2

About [3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol

[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol (PubChem CID 15107440) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is [3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol
PubChem CID15107440
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol
SMILESCN1CCC(CO)(CO)C1
InChIInChI=1S/C7H15NO2/c1-8-3-2-7(4-8,5-9)6-10/h9-10H,2-6H2,1H3
InChIKeyDSAVPMNSFNVXLR-UHFFFAOYSA-N
XLogP-0.71
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol (CID 15107440) is [3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol is CN1CCC(CO)(CO)C1.
What is the InChIKey of [3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol?
The InChIKey is DSAVPMNSFNVXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-8-3-2-7(4-8,5-9)6-10/h9-10H,2-6H2,1H3.
What are the key properties of [3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol?
[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol has a molecular weight of 145.20 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 15107440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).