methanol;2-pyrrolidin-1-ylpropan-1-ol

C8H19NO2 — CID 172620475

IUPACmethanol;2-pyrrolidin-1-ylpropan-1-ol
SMILESCC(CO)N1CCCC1.CO
InChIInChI=1S/C7H15NO.CH4O/c1-7(6-9)8-4-2-3-5-8;1-2/h7,9H,2-6H2,1H3;2H,1H3
InChIKeyPJLUWCYRNJFGGV-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.07
Rot. Bonds2

About methanol;2-pyrrolidin-1-ylpropan-1-ol

methanol;2-pyrrolidin-1-ylpropan-1-ol (PubChem CID 172620475) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is methanol;2-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Namemethanol;2-pyrrolidin-1-ylpropan-1-ol
PubChem CID172620475
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Namemethanol;2-pyrrolidin-1-ylpropan-1-ol
SMILESCC(CO)N1CCCC1.CO
InChIInChI=1S/C7H15NO.CH4O/c1-7(6-9)8-4-2-3-5-8;1-2/h7,9H,2-6H2,1H3;2H,1H3
InChIKeyPJLUWCYRNJFGGV-UHFFFAOYSA-N
XLogP0.07
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methanol;2-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of methanol;2-pyrrolidin-1-ylpropan-1-ol (CID 172620475) is methanol;2-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for methanol;2-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for methanol;2-pyrrolidin-1-ylpropan-1-ol is CC(CO)N1CCCC1.CO.
What is the InChIKey of methanol;2-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is PJLUWCYRNJFGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.CH4O/c1-7(6-9)8-4-2-3-5-8;1-2/h7,9H,2-6H2,1H3;2H,1H3.
What are the key properties of methanol;2-pyrrolidin-1-ylpropan-1-ol?
methanol;2-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 161.24 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 172620475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).