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

C9H19NO2 — CID 130991676

IUPAC2-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol
SMILESCC(CO)N1CCC(C)(CO)C1
InChIInChI=1S/C9H19NO2/c1-8(5-11)10-4-3-9(2,6-10)7-12/h8,11-12H,3-7H2,1-2H3
InChIKeyIZCRRARMKVNGON-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.07
Rot. Bonds3

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

2-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol (PubChem CID 130991676) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol
PubChem CID130991676
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol
SMILESCC(CO)N1CCC(C)(CO)C1
InChIInChI=1S/C9H19NO2/c1-8(5-11)10-4-3-9(2,6-10)7-12/h8,11-12H,3-7H2,1-2H3
InChIKeyIZCRRARMKVNGON-UHFFFAOYSA-N
XLogP0.07
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 ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol?
The IUPAC name of 2-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol (CID 130991676) is 2-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol.
What is the SMILES notation for 2-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol?
The canonical SMILES for 2-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol is CC(CO)N1CCC(C)(CO)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol?
The InChIKey is IZCRRARMKVNGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(5-11)10-4-3-9(2,6-10)7-12/h8,11-12H,3-7H2,1-2H3.
What are the key properties of 2-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol?
2-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol has a molecular weight of 173.26 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol is sourced from PubChem (CID 130991676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).