methanol;(1-propylpyrrolidin-3-yl)methanol

C9H21NO2 — CID 172620520

IUPACmethanol;(1-propylpyrrolidin-3-yl)methanol
SMILESCCCN1CCC(CO)C1.CO
InChIInChI=1S/C8H17NO.CH4O/c1-2-4-9-5-3-8(6-9)7-10;1-2/h8,10H,2-7H2,1H3;2H,1H3
InChIKeyGHEUCMBDGHRGRJ-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.32
Rot. Bonds3

About methanol;(1-propylpyrrolidin-3-yl)methanol

methanol;(1-propylpyrrolidin-3-yl)methanol (PubChem CID 172620520) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is methanol;(1-propylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Namemethanol;(1-propylpyrrolidin-3-yl)methanol
PubChem CID172620520
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Namemethanol;(1-propylpyrrolidin-3-yl)methanol
SMILESCCCN1CCC(CO)C1.CO
InChIInChI=1S/C8H17NO.CH4O/c1-2-4-9-5-3-8(6-9)7-10;1-2/h8,10H,2-7H2,1H3;2H,1H3
InChIKeyGHEUCMBDGHRGRJ-UHFFFAOYSA-N
XLogP0.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methanol;(1-propylpyrrolidin-3-yl)methanol?
The IUPAC name of methanol;(1-propylpyrrolidin-3-yl)methanol (CID 172620520) is methanol;(1-propylpyrrolidin-3-yl)methanol.
What is the SMILES notation for methanol;(1-propylpyrrolidin-3-yl)methanol?
The canonical SMILES for methanol;(1-propylpyrrolidin-3-yl)methanol is CCCN1CCC(CO)C1.CO.
What is the InChIKey of methanol;(1-propylpyrrolidin-3-yl)methanol?
The InChIKey is GHEUCMBDGHRGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.CH4O/c1-2-4-9-5-3-8(6-9)7-10;1-2/h8,10H,2-7H2,1H3;2H,1H3.
What are the key properties of methanol;(1-propylpyrrolidin-3-yl)methanol?
methanol;(1-propylpyrrolidin-3-yl)methanol has a molecular weight of 175.27 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;(1-propylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 172620520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).