methanol;pyrrolidin-3-ylmethanol

C6H15NO2 — CID 143016466

IUPACmethanol;pyrrolidin-3-ylmethanol
SMILESCO.OCC1CCNC1
InChIInChI=1S/C5H11NO.CH4O/c7-4-5-1-2-6-3-5;1-2/h5-7H,1-4H2;2H,1H3
InChIKeyGGNIXQLGZWELRV-UHFFFAOYSA-N
MW133.19 g/mol
LogP-0.80
Rot. Bonds1

About methanol;pyrrolidin-3-ylmethanol

methanol;pyrrolidin-3-ylmethanol (PubChem CID 143016466) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is methanol;pyrrolidin-3-ylmethanol.

Molecular Properties

Compound Namemethanol;pyrrolidin-3-ylmethanol
PubChem CID143016466
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Namemethanol;pyrrolidin-3-ylmethanol
SMILESCO.OCC1CCNC1
InChIInChI=1S/C5H11NO.CH4O/c7-4-5-1-2-6-3-5;1-2/h5-7H,1-4H2;2H,1H3
InChIKeyGGNIXQLGZWELRV-UHFFFAOYSA-N
XLogP-0.80
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methanol;pyrrolidin-3-ylmethanol?
The IUPAC name of methanol;pyrrolidin-3-ylmethanol (CID 143016466) is methanol;pyrrolidin-3-ylmethanol.
What is the SMILES notation for methanol;pyrrolidin-3-ylmethanol?
The canonical SMILES for methanol;pyrrolidin-3-ylmethanol is CO.OCC1CCNC1.
What is the InChIKey of methanol;pyrrolidin-3-ylmethanol?
The InChIKey is GGNIXQLGZWELRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.CH4O/c7-4-5-1-2-6-3-5;1-2/h5-7H,1-4H2;2H,1H3.
What are the key properties of methanol;pyrrolidin-3-ylmethanol?
methanol;pyrrolidin-3-ylmethanol has a molecular weight of 133.19 g/mol, XLogP of -0.80, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;pyrrolidin-3-ylmethanol is sourced from PubChem (CID 143016466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).