2-[4-(hydroxymethyl)-1-methylpyrrolidin-3-yl]propan-1-ol

C9H19NO2 — CID 90337746

IUPAC2-[4-(hydroxymethyl)-1-methylpyrrolidin-3-yl]propan-1-ol
SMILESCC(CO)C1CN(C)CC1CO
InChIInChI=1S/C9H19NO2/c1-7(5-11)9-4-10(2)3-8(9)6-12/h7-9,11-12H,3-6H2,1-2H3
InChIKeyXYKBPZQYAPGBME-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.22
Rot. Bonds3

About 2-[4-(hydroxymethyl)-1-methylpyrrolidin-3-yl]propan-1-ol

2-[4-(hydroxymethyl)-1-methylpyrrolidin-3-yl]propan-1-ol (PubChem CID 90337746) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-1-methylpyrrolidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-1-methylpyrrolidin-3-yl]propan-1-ol
PubChem CID90337746
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-[4-(hydroxymethyl)-1-methylpyrrolidin-3-yl]propan-1-ol
SMILESCC(CO)C1CN(C)CC1CO
InChIInChI=1S/C9H19NO2/c1-7(5-11)9-4-10(2)3-8(9)6-12/h7-9,11-12H,3-6H2,1-2H3
InChIKeyXYKBPZQYAPGBME-UHFFFAOYSA-N
XLogP-0.22
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-1-methylpyrrolidin-3-yl]propan-1-ol?
The IUPAC name of 2-[4-(hydroxymethyl)-1-methylpyrrolidin-3-yl]propan-1-ol (CID 90337746) is 2-[4-(hydroxymethyl)-1-methylpyrrolidin-3-yl]propan-1-ol.
What is the SMILES notation for 2-[4-(hydroxymethyl)-1-methylpyrrolidin-3-yl]propan-1-ol?
The canonical SMILES for 2-[4-(hydroxymethyl)-1-methylpyrrolidin-3-yl]propan-1-ol is CC(CO)C1CN(C)CC1CO.
What is the InChIKey of 2-[4-(hydroxymethyl)-1-methylpyrrolidin-3-yl]propan-1-ol?
The InChIKey is XYKBPZQYAPGBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(5-11)9-4-10(2)3-8(9)6-12/h7-9,11-12H,3-6H2,1-2H3.
What are the key properties of 2-[4-(hydroxymethyl)-1-methylpyrrolidin-3-yl]propan-1-ol?
2-[4-(hydroxymethyl)-1-methylpyrrolidin-3-yl]propan-1-ol has a molecular weight of 173.26 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-1-methylpyrrolidin-3-yl]propan-1-ol is sourced from PubChem (CID 90337746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).