5-ethyl-3-phenylpyrrolidin-3-ol;hydrochloride

C12H18ClNO — CID 3051577

IUPAC5-ethyl-3-phenylpyrrolidin-3-ol;hydrochloride
SMILESCCC1CC(O)(c2ccccc2)CN1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-2-11-8-12(14,9-13-11)10-6-4-3-5-7-10;/h3-7,11,13-14H,2,8-9H2,1H3;1H
InChIKeyWGPYJTKQHZYAHN-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.07
Rot. Bonds2

About 5-ethyl-3-phenylpyrrolidin-3-ol;hydrochloride

5-ethyl-3-phenylpyrrolidin-3-ol;hydrochloride (PubChem CID 3051577) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 5-ethyl-3-phenylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name5-ethyl-3-phenylpyrrolidin-3-ol;hydrochloride
PubChem CID3051577
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name5-ethyl-3-phenylpyrrolidin-3-ol;hydrochloride
SMILESCCC1CC(O)(c2ccccc2)CN1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-2-11-8-12(14,9-13-11)10-6-4-3-5-7-10;/h3-7,11,13-14H,2,8-9H2,1H3;1H
InChIKeyWGPYJTKQHZYAHN-UHFFFAOYSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-phenylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of 5-ethyl-3-phenylpyrrolidin-3-ol;hydrochloride (CID 3051577) is 5-ethyl-3-phenylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 5-ethyl-3-phenylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 5-ethyl-3-phenylpyrrolidin-3-ol;hydrochloride is CCC1CC(O)(c2ccccc2)CN1.Cl.
What is the InChIKey of 5-ethyl-3-phenylpyrrolidin-3-ol;hydrochloride?
The InChIKey is WGPYJTKQHZYAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-2-11-8-12(14,9-13-11)10-6-4-3-5-7-10;/h3-7,11,13-14H,2,8-9H2,1H3;1H.
What are the key properties of 5-ethyl-3-phenylpyrrolidin-3-ol;hydrochloride?
5-ethyl-3-phenylpyrrolidin-3-ol;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-phenylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 3051577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).