(3S)-3-ethyl-1-methylpyrrolidin-3-ol

C7H15NO — CID 166166966

IUPAC(3S)-3-ethyl-1-methylpyrrolidin-3-ol
SMILESCC[C@]1(O)CCN(C)C1
InChIInChI=1S/C7H15NO/c1-3-7(9)4-5-8(2)6-7/h9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyVEUBYHKGPKVDJJ-ZETCQYMHSA-N
MW129.20 g/mol
LogP0.46
Rot. Bonds1

About (3S)-3-ethyl-1-methylpyrrolidin-3-ol

(3S)-3-ethyl-1-methylpyrrolidin-3-ol (PubChem CID 166166966) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (3S)-3-ethyl-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-3-ethyl-1-methylpyrrolidin-3-ol
PubChem CID166166966
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(3S)-3-ethyl-1-methylpyrrolidin-3-ol
SMILESCC[C@]1(O)CCN(C)C1
InChIInChI=1S/C7H15NO/c1-3-7(9)4-5-8(2)6-7/h9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyVEUBYHKGPKVDJJ-ZETCQYMHSA-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 (3S)-3-ethyl-1-methylpyrrolidin-3-ol?
The IUPAC name of (3S)-3-ethyl-1-methylpyrrolidin-3-ol (CID 166166966) is (3S)-3-ethyl-1-methylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-3-ethyl-1-methylpyrrolidin-3-ol?
The canonical SMILES for (3S)-3-ethyl-1-methylpyrrolidin-3-ol is CC[C@]1(O)CCN(C)C1.
What is the InChIKey of (3S)-3-ethyl-1-methylpyrrolidin-3-ol?
The InChIKey is VEUBYHKGPKVDJJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-7(9)4-5-8(2)6-7/h9H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (3S)-3-ethyl-1-methylpyrrolidin-3-ol?
(3S)-3-ethyl-1-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 (3S)-3-ethyl-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 166166966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).