ethanol;(4-methylpyrrolidin-3-yl)methanol

C8H19NO2 — CID 143016177

IUPACethanol;(4-methylpyrrolidin-3-yl)methanol
SMILESCC1CNCC1CO.CCO
InChIInChI=1S/C6H13NO.C2H6O/c1-5-2-7-3-6(5)4-8;1-2-3/h5-8H,2-4H2,1H3;3H,2H2,1H3
InChIKeyHBLHVHFWGQUVLC-UHFFFAOYSA-N
MW161.25 g/mol
LogP-0.17
Rot. Bonds1

About ethanol;(4-methylpyrrolidin-3-yl)methanol

ethanol;(4-methylpyrrolidin-3-yl)methanol (PubChem CID 143016177) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is ethanol;(4-methylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Nameethanol;(4-methylpyrrolidin-3-yl)methanol
PubChem CID143016177
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Nameethanol;(4-methylpyrrolidin-3-yl)methanol
SMILESCC1CNCC1CO.CCO
InChIInChI=1S/C6H13NO.C2H6O/c1-5-2-7-3-6(5)4-8;1-2-3/h5-8H,2-4H2,1H3;3H,2H2,1H3
InChIKeyHBLHVHFWGQUVLC-UHFFFAOYSA-N
XLogP-0.17
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethanol;(4-methylpyrrolidin-3-yl)methanol?
The IUPAC name of ethanol;(4-methylpyrrolidin-3-yl)methanol (CID 143016177) is ethanol;(4-methylpyrrolidin-3-yl)methanol.
What is the SMILES notation for ethanol;(4-methylpyrrolidin-3-yl)methanol?
The canonical SMILES for ethanol;(4-methylpyrrolidin-3-yl)methanol is CC1CNCC1CO.CCO.
What is the InChIKey of ethanol;(4-methylpyrrolidin-3-yl)methanol?
The InChIKey is HBLHVHFWGQUVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C2H6O/c1-5-2-7-3-6(5)4-8;1-2-3/h5-8H,2-4H2,1H3;3H,2H2,1H3.
What are the key properties of ethanol;(4-methylpyrrolidin-3-yl)methanol?
ethanol;(4-methylpyrrolidin-3-yl)methanol has a molecular weight of 161.25 g/mol, XLogP of -0.17, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;(4-methylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 143016177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).