1-ethyl-4,4-dimethylpyrrolidin-3-ol

C8H17NO — CID 121207274

IUPAC1-ethyl-4,4-dimethylpyrrolidin-3-ol
SMILESCCN1CC(O)C(C)(C)C1
InChIInChI=1S/C8H17NO/c1-4-9-5-7(10)8(2,3)6-9/h7,10H,4-6H2,1-3H3
InChIKeyYDRJLCCSTMYWDP-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.71
Rot. Bonds1

About 1-ethyl-4,4-dimethylpyrrolidin-3-ol

1-ethyl-4,4-dimethylpyrrolidin-3-ol (PubChem CID 121207274) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-ethyl-4,4-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-ethyl-4,4-dimethylpyrrolidin-3-ol
PubChem CID121207274
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-ethyl-4,4-dimethylpyrrolidin-3-ol
SMILESCCN1CC(O)C(C)(C)C1
InChIInChI=1S/C8H17NO/c1-4-9-5-7(10)8(2,3)6-9/h7,10H,4-6H2,1-3H3
InChIKeyYDRJLCCSTMYWDP-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,4-dimethylpyrrolidin-3-ol?
The IUPAC name of 1-ethyl-4,4-dimethylpyrrolidin-3-ol (CID 121207274) is 1-ethyl-4,4-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 1-ethyl-4,4-dimethylpyrrolidin-3-ol?
The canonical SMILES for 1-ethyl-4,4-dimethylpyrrolidin-3-ol is CCN1CC(O)C(C)(C)C1.
What is the InChIKey of 1-ethyl-4,4-dimethylpyrrolidin-3-ol?
The InChIKey is YDRJLCCSTMYWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-9-5-7(10)8(2,3)6-9/h7,10H,4-6H2,1-3H3.
What are the key properties of 1-ethyl-4,4-dimethylpyrrolidin-3-ol?
1-ethyl-4,4-dimethylpyrrolidin-3-ol has a molecular weight of 143.23 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,4-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 121207274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).