3-[(4-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride

C11H15Cl2NO — CID 3051531

IUPAC3-[(4-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1(Cc2ccc(Cl)cc2)CCNC1
InChIInChI=1S/C11H14ClNO.ClH/c12-10-3-1-9(2-4-10)7-11(14)5-6-13-8-11;/h1-4,13-14H,5-8H2;1H
InChIKeyVBCDPPPRLKXBAD-UHFFFAOYSA-N
MW248.15 g/mol
LogP2.03
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride

3-[(4-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 3051531) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride
PubChem CID3051531
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name3-[(4-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1(Cc2ccc(Cl)cc2)CCNC1
InChIInChI=1S/C11H14ClNO.ClH/c12-10-3-1-9(2-4-10)7-11(14)5-6-13-8-11;/h1-4,13-14H,5-8H2;1H
InChIKeyVBCDPPPRLKXBAD-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 3-[(4-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride (CID 3051531) is 3-[(4-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride is Cl.OC1(Cc2ccc(Cl)cc2)CCNC1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is VBCDPPPRLKXBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO.ClH/c12-10-3-1-9(2-4-10)7-11(14)5-6-13-8-11;/h1-4,13-14H,5-8H2;1H.
What are the key properties of 3-[(4-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride?
3-[(4-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 248.15 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 3051531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).