[1-butyl-5-(hydroxymethyl)pyrrolidin-2-yl]methanol

C10H21NO2 — CID 119095281

IUPAC[1-butyl-5-(hydroxymethyl)pyrrolidin-2-yl]methanol
SMILESCCCCN1C(CO)CCC1CO
InChIInChI=1S/C10H21NO2/c1-2-3-6-11-9(7-12)4-5-10(11)8-13/h9-10,12-13H,2-8H2,1H3
InChIKeyXDHMAMIWOTVANM-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.60
Rot. Bonds5

About [1-butyl-5-(hydroxymethyl)pyrrolidin-2-yl]methanol

[1-butyl-5-(hydroxymethyl)pyrrolidin-2-yl]methanol (PubChem CID 119095281) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is [1-butyl-5-(hydroxymethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-butyl-5-(hydroxymethyl)pyrrolidin-2-yl]methanol
PubChem CID119095281
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name[1-butyl-5-(hydroxymethyl)pyrrolidin-2-yl]methanol
SMILESCCCCN1C(CO)CCC1CO
InChIInChI=1S/C10H21NO2/c1-2-3-6-11-9(7-12)4-5-10(11)8-13/h9-10,12-13H,2-8H2,1H3
InChIKeyXDHMAMIWOTVANM-UHFFFAOYSA-N
XLogP0.60
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-butyl-5-(hydroxymethyl)pyrrolidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-butyl-5-(hydroxymethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-butyl-5-(hydroxymethyl)pyrrolidin-2-yl]methanol (CID 119095281) is [1-butyl-5-(hydroxymethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-butyl-5-(hydroxymethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-butyl-5-(hydroxymethyl)pyrrolidin-2-yl]methanol is CCCCN1C(CO)CCC1CO.
What is the InChIKey of [1-butyl-5-(hydroxymethyl)pyrrolidin-2-yl]methanol?
The InChIKey is XDHMAMIWOTVANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-3-6-11-9(7-12)4-5-10(11)8-13/h9-10,12-13H,2-8H2,1H3.
What are the key properties of [1-butyl-5-(hydroxymethyl)pyrrolidin-2-yl]methanol?
[1-butyl-5-(hydroxymethyl)pyrrolidin-2-yl]methanol has a molecular weight of 187.28 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-butyl-5-(hydroxymethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 119095281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).