1-[1-(3-chlorophenyl)propyl]pyrrolidine;hydrochloride

C13H19Cl2N — CID 3057458

IUPAC1-[1-(3-chlorophenyl)propyl]pyrrolidine;hydrochloride
SMILESCCC(c1cccc(Cl)c1)N1CCCC1.Cl
InChIInChI=1S/C13H18ClN.ClH/c1-2-13(15-8-3-4-9-15)11-6-5-7-12(14)10-11;/h5-7,10,13H,2-4,8-9H2,1H3;1H
InChIKeyPKQPKOROCNUQSC-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.31
Rot. Bonds3

About 1-[1-(3-chlorophenyl)propyl]pyrrolidine;hydrochloride

1-[1-(3-chlorophenyl)propyl]pyrrolidine;hydrochloride (PubChem CID 3057458) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)propyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)propyl]pyrrolidine;hydrochloride
PubChem CID3057458
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name1-[1-(3-chlorophenyl)propyl]pyrrolidine;hydrochloride
SMILESCCC(c1cccc(Cl)c1)N1CCCC1.Cl
InChIInChI=1S/C13H18ClN.ClH/c1-2-13(15-8-3-4-9-15)11-6-5-7-12(14)10-11;/h5-7,10,13H,2-4,8-9H2,1H3;1H
InChIKeyPKQPKOROCNUQSC-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)propyl]pyrrolidine;hydrochloride?
The IUPAC name of 1-[1-(3-chlorophenyl)propyl]pyrrolidine;hydrochloride (CID 3057458) is 1-[1-(3-chlorophenyl)propyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 1-[1-(3-chlorophenyl)propyl]pyrrolidine;hydrochloride?
The canonical SMILES for 1-[1-(3-chlorophenyl)propyl]pyrrolidine;hydrochloride is CCC(c1cccc(Cl)c1)N1CCCC1.Cl.
What is the InChIKey of 1-[1-(3-chlorophenyl)propyl]pyrrolidine;hydrochloride?
The InChIKey is PKQPKOROCNUQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN.ClH/c1-2-13(15-8-3-4-9-15)11-6-5-7-12(14)10-11;/h5-7,10,13H,2-4,8-9H2,1H3;1H.
What are the key properties of 1-[1-(3-chlorophenyl)propyl]pyrrolidine;hydrochloride?
1-[1-(3-chlorophenyl)propyl]pyrrolidine;hydrochloride has a molecular weight of 260.21 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)propyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 3057458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).