2-[1-(2-hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one

C17H21NO3 — CID 79538771

IUPAC2-[1-(2-hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCc1ccc(O)c(C(=O)N2CCCC2C2CCCC2=O)c1
InChIInChI=1S/C17H21NO3/c1-11-7-8-16(20)13(10-11)17(21)18-9-3-5-14(18)12-4-2-6-15(12)19/h7-8,10,12,14,20H,2-6,9H2,1H3
InChIKeyVQTDCFNETZOAPT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.67
Rot. Bonds2

About 2-[1-(2-hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one

2-[1-(2-hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 79538771) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(2-hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID79538771
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[1-(2-hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCc1ccc(O)c(C(=O)N2CCCC2C2CCCC2=O)c1
InChIInChI=1S/C17H21NO3/c1-11-7-8-16(20)13(10-11)17(21)18-9-3-5-14(18)12-4-2-6-15(12)19/h7-8,10,12,14,20H,2-6,9H2,1H3
InChIKeyVQTDCFNETZOAPT-UHFFFAOYSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(2-hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one (CID 79538771) is 2-[1-(2-hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(2-hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(2-hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one is Cc1ccc(O)c(C(=O)N2CCCC2C2CCCC2=O)c1.
What is the InChIKey of 2-[1-(2-hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is VQTDCFNETZOAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-7-8-16(20)13(10-11)17(21)18-9-3-5-14(18)12-4-2-6-15(12)19/h7-8,10,12,14,20H,2-6,9H2,1H3.
What are the key properties of 2-[1-(2-hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-(2-hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 287.36 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79538771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).