[1-(cyclopropylmethyl)pyrrolidin-3-yl]methanol;methanesulfonic acid

C10H21NO4S — CID 86743265

IUPAC[1-(cyclopropylmethyl)pyrrolidin-3-yl]methanol;methanesulfonic acid
SMILESCS(=O)(=O)O.OCC1CCN(CC2CC2)C1
InChIInChI=1S/C9H17NO.CH4O3S/c11-7-9-3-4-10(6-9)5-8-1-2-8;1-5(2,3)4/h8-9,11H,1-7H2;1H3,(H,2,3,4)
InChIKeyAFJSNVGSSQOMRI-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.21
Rot. Bonds3

About [1-(cyclopropylmethyl)pyrrolidin-3-yl]methanol;methanesulfonic acid

[1-(cyclopropylmethyl)pyrrolidin-3-yl]methanol;methanesulfonic acid (PubChem CID 86743265) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)pyrrolidin-3-yl]methanol;methanesulfonic acid.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)pyrrolidin-3-yl]methanol;methanesulfonic acid
PubChem CID86743265
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name[1-(cyclopropylmethyl)pyrrolidin-3-yl]methanol;methanesulfonic acid
SMILESCS(=O)(=O)O.OCC1CCN(CC2CC2)C1
InChIInChI=1S/C9H17NO.CH4O3S/c11-7-9-3-4-10(6-9)5-8-1-2-8;1-5(2,3)4/h8-9,11H,1-7H2;1H3,(H,2,3,4)
InChIKeyAFJSNVGSSQOMRI-UHFFFAOYSA-N
XLogP0.21
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)pyrrolidin-3-yl]methanol;methanesulfonic acid?
The IUPAC name of [1-(cyclopropylmethyl)pyrrolidin-3-yl]methanol;methanesulfonic acid (CID 86743265) is [1-(cyclopropylmethyl)pyrrolidin-3-yl]methanol;methanesulfonic acid.
What is the SMILES notation for [1-(cyclopropylmethyl)pyrrolidin-3-yl]methanol;methanesulfonic acid?
The canonical SMILES for [1-(cyclopropylmethyl)pyrrolidin-3-yl]methanol;methanesulfonic acid is CS(=O)(=O)O.OCC1CCN(CC2CC2)C1.
What is the InChIKey of [1-(cyclopropylmethyl)pyrrolidin-3-yl]methanol;methanesulfonic acid?
The InChIKey is AFJSNVGSSQOMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.CH4O3S/c11-7-9-3-4-10(6-9)5-8-1-2-8;1-5(2,3)4/h8-9,11H,1-7H2;1H3,(H,2,3,4).
What are the key properties of [1-(cyclopropylmethyl)pyrrolidin-3-yl]methanol;methanesulfonic acid?
[1-(cyclopropylmethyl)pyrrolidin-3-yl]methanol;methanesulfonic acid has a molecular weight of 251.35 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)pyrrolidin-3-yl]methanol;methanesulfonic acid is sourced from PubChem (CID 86743265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).