[4-(hydroxymethyl)-1-propylpyrrolidin-3-yl]methanol

C9H19NO2 — CID 170958201

IUPAC[4-(hydroxymethyl)-1-propylpyrrolidin-3-yl]methanol
SMILESCCCN1CC(CO)C(CO)C1
InChIInChI=1S/C9H19NO2/c1-2-3-10-4-8(6-11)9(5-10)7-12/h8-9,11-12H,2-7H2,1H3
InChIKeyBTOLYELRWHFCLS-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.07
Rot. Bonds4

About [4-(hydroxymethyl)-1-propylpyrrolidin-3-yl]methanol

[4-(hydroxymethyl)-1-propylpyrrolidin-3-yl]methanol (PubChem CID 170958201) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is [4-(hydroxymethyl)-1-propylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-1-propylpyrrolidin-3-yl]methanol
PubChem CID170958201
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name[4-(hydroxymethyl)-1-propylpyrrolidin-3-yl]methanol
SMILESCCCN1CC(CO)C(CO)C1
InChIInChI=1S/C9H19NO2/c1-2-3-10-4-8(6-11)9(5-10)7-12/h8-9,11-12H,2-7H2,1H3
InChIKeyBTOLYELRWHFCLS-UHFFFAOYSA-N
XLogP-0.07
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-1-propylpyrrolidin-3-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)-1-propylpyrrolidin-3-yl]methanol (CID 170958201) is [4-(hydroxymethyl)-1-propylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-1-propylpyrrolidin-3-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-1-propylpyrrolidin-3-yl]methanol is CCCN1CC(CO)C(CO)C1.
What is the InChIKey of [4-(hydroxymethyl)-1-propylpyrrolidin-3-yl]methanol?
The InChIKey is BTOLYELRWHFCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-3-10-4-8(6-11)9(5-10)7-12/h8-9,11-12H,2-7H2,1H3.
What are the key properties of [4-(hydroxymethyl)-1-propylpyrrolidin-3-yl]methanol?
[4-(hydroxymethyl)-1-propylpyrrolidin-3-yl]methanol has a molecular weight of 173.26 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-1-propylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 170958201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).