[1-(4-chlorophenyl)cyclopropyl]-[3-(2,6-dimethylphenyl)pyrrolidin-1-yl]methanone

C22H24ClNO — CID 11638939

IUPAC[1-(4-chlorophenyl)cyclopropyl]-[3-(2,6-dimethylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1cccc(C)c1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C22H24ClNO/c1-15-4-3-5-16(2)20(15)17-10-13-24(14-17)21(25)22(11-12-22)18-6-8-19(23)9-7-18/h3-9,17H,10-14H2,1-2H3
InChIKeyFBZYZZRZXODGDD-UHFFFAOYSA-N
MW353.89 g/mol
LogP5.00
Rot. Bonds3

About [1-(4-chlorophenyl)cyclopropyl]-[3-(2,6-dimethylphenyl)pyrrolidin-1-yl]methanone

[1-(4-chlorophenyl)cyclopropyl]-[3-(2,6-dimethylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 11638939) has the molecular formula C22H24ClNO and a molecular weight of 353.89 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopropyl]-[3-(2,6-dimethylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopropyl]-[3-(2,6-dimethylphenyl)pyrrolidin-1-yl]methanone
PubChem CID11638939
Molecular FormulaC22H24ClNO
Molecular Weight353.89 g/mol
Exact Mass353.15
IUPAC Name[1-(4-chlorophenyl)cyclopropyl]-[3-(2,6-dimethylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1cccc(C)c1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C22H24ClNO/c1-15-4-3-5-16(2)20(15)17-10-13-24(14-17)21(25)22(11-12-22)18-6-8-19(23)9-7-18/h3-9,17H,10-14H2,1-2H3
InChIKeyFBZYZZRZXODGDD-UHFFFAOYSA-N
XLogP5.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.89
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-[3-(2,6-dimethylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-[3-(2,6-dimethylphenyl)pyrrolidin-1-yl]methanone (CID 11638939) is [1-(4-chlorophenyl)cyclopropyl]-[3-(2,6-dimethylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopropyl]-[3-(2,6-dimethylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopropyl]-[3-(2,6-dimethylphenyl)pyrrolidin-1-yl]methanone is Cc1cccc(C)c1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopropyl]-[3-(2,6-dimethylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is FBZYZZRZXODGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO/c1-15-4-3-5-16(2)20(15)17-10-13-24(14-17)21(25)22(11-12-22)18-6-8-19(23)9-7-18/h3-9,17H,10-14H2,1-2H3.
What are the key properties of [1-(4-chlorophenyl)cyclopropyl]-[3-(2,6-dimethylphenyl)pyrrolidin-1-yl]methanone?
[1-(4-chlorophenyl)cyclopropyl]-[3-(2,6-dimethylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 353.89 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopropyl]-[3-(2,6-dimethylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 11638939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).