2-[1-(3-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one

C17H21NO3 — CID 82809405

IUPAC2-[1-(3-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCc1c(O)cccc1C(=O)N1CCCC1C1CCCC1=O
InChIInChI=1S/C17H21NO3/c1-11-12(5-2-8-15(11)19)17(21)18-10-4-7-14(18)13-6-3-9-16(13)20/h2,5,8,13-14,19H,3-4,6-7,9-10H2,1H3
InChIKeyGVWUWUFYYVBNGH-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.67
Rot. Bonds2

About 2-[1-(3-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one

2-[1-(3-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 82809405) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[1-(3-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(3-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID82809405
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[1-(3-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCc1c(O)cccc1C(=O)N1CCCC1C1CCCC1=O
InChIInChI=1S/C17H21NO3/c1-11-12(5-2-8-15(11)19)17(21)18-10-4-7-14(18)13-6-3-9-16(13)20/h2,5,8,13-14,19H,3-4,6-7,9-10H2,1H3
InChIKeyGVWUWUFYYVBNGH-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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Related Compounds

2-[1-(2,3-dihydroxybenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 114343667
2-[1-(2-hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79538771
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829954
2-[1-(3-hydroxypyridine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 81445915
2-[1-(3,6-dimethylpyridazine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 115969065
2-[1-(5-chloro-2-hydroxybenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79538765
2-[1-(2-chloro-5-hydroxybenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 106501100
2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79538753
(3-hydroxy-2-methylphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 82828961
2-[1-(3-methylfuran-2-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79547381
2-[1-(3-bromobenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79548256
2-[1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79539002

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(3-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one (CID 82809405) is 2-[1-(3-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(3-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(3-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one is Cc1c(O)cccc1C(=O)N1CCCC1C1CCCC1=O.
What is the InChIKey of 2-[1-(3-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is GVWUWUFYYVBNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-12(5-2-8-15(11)19)17(21)18-10-4-7-14(18)13-6-3-9-16(13)20/h2,5,8,13-14,19H,3-4,6-7,9-10H2,1H3.
What are the key properties of 2-[1-(3-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-(3-hydroxy-2-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-(3-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 82809405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).