3-(3,4-dichlorophenyl)pyrrolidin-3-ol;hydrochloride

C10H12Cl3NO — CID 3051563

IUPAC3-(3,4-dichlorophenyl)pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1(c2ccc(Cl)c(Cl)c2)CCNC1
InChIInChI=1S/C10H11Cl2NO.ClH/c11-8-2-1-7(5-9(8)12)10(14)3-4-13-6-10;/h1-2,5,13-14H,3-4,6H2;1H
InChIKeyUHFFKGJZKPJLNJ-UHFFFAOYSA-N
MW268.57 g/mol
LogP2.60
Rot. Bonds1

About 3-(3,4-dichlorophenyl)pyrrolidin-3-ol;hydrochloride

3-(3,4-dichlorophenyl)pyrrolidin-3-ol;hydrochloride (PubChem CID 3051563) has the molecular formula C10H12Cl3NO and a molecular weight of 268.57 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)pyrrolidin-3-ol;hydrochloride
PubChem CID3051563
Molecular FormulaC10H12Cl3NO
Molecular Weight268.57 g/mol
Exact Mass267.00
IUPAC Name3-(3,4-dichlorophenyl)pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1(c2ccc(Cl)c(Cl)c2)CCNC1
InChIInChI=1S/C10H11Cl2NO.ClH/c11-8-2-1-7(5-9(8)12)10(14)3-4-13-6-10;/h1-2,5,13-14H,3-4,6H2;1H
InChIKeyUHFFKGJZKPJLNJ-UHFFFAOYSA-N
XLogP2.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.57
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 3-(3,4-dichlorophenyl)pyrrolidin-3-ol;hydrochloride (CID 3051563) is 3-(3,4-dichlorophenyl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 3-(3,4-dichlorophenyl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 3-(3,4-dichlorophenyl)pyrrolidin-3-ol;hydrochloride is Cl.OC1(c2ccc(Cl)c(Cl)c2)CCNC1.
What is the InChIKey of 3-(3,4-dichlorophenyl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is UHFFKGJZKPJLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO.ClH/c11-8-2-1-7(5-9(8)12)10(14)3-4-13-6-10;/h1-2,5,13-14H,3-4,6H2;1H.
What are the key properties of 3-(3,4-dichlorophenyl)pyrrolidin-3-ol;hydrochloride?
3-(3,4-dichlorophenyl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 268.57 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 3051563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).