3-(4-chlorophenyl)-5-ethylpyrrolidin-3-ol;hydrochloride

C12H17Cl2NO — CID 3051537

IUPAC3-(4-chlorophenyl)-5-ethylpyrrolidin-3-ol;hydrochloride
SMILESCCC1CC(O)(c2ccc(Cl)cc2)CN1.Cl
InChIInChI=1S/C12H16ClNO.ClH/c1-2-11-7-12(15,8-14-11)9-3-5-10(13)6-4-9;/h3-6,11,14-15H,2,7-8H2,1H3;1H
InChIKeyIYIATKXWVVQQFH-UHFFFAOYSA-N
MW262.18 g/mol
LogP2.72
Rot. Bonds2

About 3-(4-chlorophenyl)-5-ethylpyrrolidin-3-ol;hydrochloride

3-(4-chlorophenyl)-5-ethylpyrrolidin-3-ol;hydrochloride (PubChem CID 3051537) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-ethylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-ethylpyrrolidin-3-ol;hydrochloride
PubChem CID3051537
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name3-(4-chlorophenyl)-5-ethylpyrrolidin-3-ol;hydrochloride
SMILESCCC1CC(O)(c2ccc(Cl)cc2)CN1.Cl
InChIInChI=1S/C12H16ClNO.ClH/c1-2-11-7-12(15,8-14-11)9-3-5-10(13)6-4-9;/h3-6,11,14-15H,2,7-8H2,1H3;1H
InChIKeyIYIATKXWVVQQFH-UHFFFAOYSA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-ethylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of 3-(4-chlorophenyl)-5-ethylpyrrolidin-3-ol;hydrochloride (CID 3051537) is 3-(4-chlorophenyl)-5-ethylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 3-(4-chlorophenyl)-5-ethylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 3-(4-chlorophenyl)-5-ethylpyrrolidin-3-ol;hydrochloride is CCC1CC(O)(c2ccc(Cl)cc2)CN1.Cl.
What is the InChIKey of 3-(4-chlorophenyl)-5-ethylpyrrolidin-3-ol;hydrochloride?
The InChIKey is IYIATKXWVVQQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO.ClH/c1-2-11-7-12(15,8-14-11)9-3-5-10(13)6-4-9;/h3-6,11,14-15H,2,7-8H2,1H3;1H.
What are the key properties of 3-(4-chlorophenyl)-5-ethylpyrrolidin-3-ol;hydrochloride?
3-(4-chlorophenyl)-5-ethylpyrrolidin-3-ol;hydrochloride has a molecular weight of 262.18 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-ethylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 3051537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).