2-[(2-chlorophenyl)methyl]-2-cyclopropylpyrrolidine

C14H18ClN — CID 66468538

IUPAC2-[(2-chlorophenyl)methyl]-2-cyclopropylpyrrolidine
SMILESClc1ccccc1CC1(C2CC2)CCCN1
InChIInChI=1S/C14H18ClN/c15-13-5-2-1-4-11(13)10-14(12-6-7-12)8-3-9-16-14/h1-2,4-5,12,16H,3,6-10H2
InChIKeyJYWSDXITMOABPK-UHFFFAOYSA-N
MW235.76 g/mol
LogP3.41
Rot. Bonds3

About 2-[(2-chlorophenyl)methyl]-2-cyclopropylpyrrolidine

2-[(2-chlorophenyl)methyl]-2-cyclopropylpyrrolidine (PubChem CID 66468538) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-2-cyclopropylpyrrolidine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-2-cyclopropylpyrrolidine
PubChem CID66468538
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name2-[(2-chlorophenyl)methyl]-2-cyclopropylpyrrolidine
SMILESClc1ccccc1CC1(C2CC2)CCCN1
InChIInChI=1S/C14H18ClN/c15-13-5-2-1-4-11(13)10-14(12-6-7-12)8-3-9-16-14/h1-2,4-5,12,16H,3,6-10H2
InChIKeyJYWSDXITMOABPK-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-2-cyclopropylpyrrolidine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-2-cyclopropylpyrrolidine (CID 66468538) is 2-[(2-chlorophenyl)methyl]-2-cyclopropylpyrrolidine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-2-cyclopropylpyrrolidine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-2-cyclopropylpyrrolidine is Clc1ccccc1CC1(C2CC2)CCCN1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-2-cyclopropylpyrrolidine?
The InChIKey is JYWSDXITMOABPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c15-13-5-2-1-4-11(13)10-14(12-6-7-12)8-3-9-16-14/h1-2,4-5,12,16H,3,6-10H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-2-cyclopropylpyrrolidine?
2-[(2-chlorophenyl)methyl]-2-cyclopropylpyrrolidine has a molecular weight of 235.76 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-2-cyclopropylpyrrolidine is sourced from PubChem (CID 66468538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).