1-ethyl-3-methylpyrrolidin-3-ol

C7H15NO — CID 67587493

IUPAC1-ethyl-3-methylpyrrolidin-3-ol
SMILESCCN1CCC(C)(O)C1
InChIInChI=1S/C7H15NO/c1-3-8-5-4-7(2,9)6-8/h9H,3-6H2,1-2H3
InChIKeySDDMEXPMJLIBOO-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.46
Rot. Bonds1

About 1-ethyl-3-methylpyrrolidin-3-ol

1-ethyl-3-methylpyrrolidin-3-ol (PubChem CID 67587493) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-ethyl-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-ethyl-3-methylpyrrolidin-3-ol
PubChem CID67587493
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-ethyl-3-methylpyrrolidin-3-ol
SMILESCCN1CCC(C)(O)C1
InChIInChI=1S/C7H15NO/c1-3-8-5-4-7(2,9)6-8/h9H,3-6H2,1-2H3
InChIKeySDDMEXPMJLIBOO-UHFFFAOYSA-N
XLogP0.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-ethyl-3-methylpyrrolidin-3-ol (CID 67587493) is 1-ethyl-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-ethyl-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-ethyl-3-methylpyrrolidin-3-ol is CCN1CCC(C)(O)C1.
What is the InChIKey of 1-ethyl-3-methylpyrrolidin-3-ol?
The InChIKey is SDDMEXPMJLIBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-8-5-4-7(2,9)6-8/h9H,3-6H2,1-2H3.
What are the key properties of 1-ethyl-3-methylpyrrolidin-3-ol?
1-ethyl-3-methylpyrrolidin-3-ol has a molecular weight of 129.20 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 67587493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).