2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one

C18H23NO2 — CID 79538753

IUPAC2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCc1cc(C)cc(C(=O)N2CCCC2C2CCCC2=O)c1
InChIInChI=1S/C18H23NO2/c1-12-9-13(2)11-14(10-12)18(21)19-8-4-6-16(19)15-5-3-7-17(15)20/h9-11,15-16H,3-8H2,1-2H3
InChIKeyCXGOAQGKSKMRIM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.28
Rot. Bonds2

About 2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one

2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 79538753) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID79538753
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCc1cc(C)cc(C(=O)N2CCCC2C2CCCC2=O)c1
InChIInChI=1S/C18H23NO2/c1-12-9-13(2)11-14(10-12)18(21)19-8-4-6-16(19)15-5-3-7-17(15)20/h9-11,15-16H,3-8H2,1-2H3
InChIKeyCXGOAQGKSKMRIM-UHFFFAOYSA-N
XLogP3.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one (CID 79538753) is 2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one is Cc1cc(C)cc(C(=O)N2CCCC2C2CCCC2=O)c1.
What is the InChIKey of 2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is CXGOAQGKSKMRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-9-13(2)11-14(10-12)18(21)19-8-4-6-16(19)15-5-3-7-17(15)20/h9-11,15-16H,3-8H2,1-2H3.
What are the key properties of 2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 285.39 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79538753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).