1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide

C13H16N2O3 — CID 103865451

IUPAC1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide
SMILESCc1cc(O)ccc1C(=O)N1CCC(C(N)=O)C1
InChIInChI=1S/C13H16N2O3/c1-8-6-10(16)2-3-11(8)13(18)15-5-4-9(7-15)12(14)17/h2-3,6,9,16H,4-5,7H2,1H3,(H2,14,17)
InChIKeyYQHVETIVUUIAHL-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.65
Rot. Bonds2

About 1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide

1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide (PubChem CID 103865451) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide
PubChem CID103865451
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide
SMILESCc1cc(O)ccc1C(=O)N1CCC(C(N)=O)C1
InChIInChI=1S/C13H16N2O3/c1-8-6-10(16)2-3-11(8)13(18)15-5-4-9(7-15)12(14)17/h2-3,6,9,16H,4-5,7H2,1H3,(H2,14,17)
InChIKeyYQHVETIVUUIAHL-UHFFFAOYSA-N
XLogP0.65
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxy-2-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103863834
(3-bromopyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 107672985
methyl 1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylate
CID 103865413
[4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107672038
(4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103863645
1-(4-amino-3-methylbenzoyl)pyrrolidine-3-carboxamide
CID 114081648
1-(2-amino-5-methylbenzoyl)pyrrolidine-3-carboxamide
CID 114081662
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(4-hydroxy-2-methylphenyl)methanone
CID 103863739
(3,4-dimethylpiperazin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 103873477
[3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 103863767
(4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 103865425
1-(2-hydroxy-4-methylbenzoyl)piperidine-3-carboxamide
CID 43176610

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide (CID 103865451) is 1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide is Cc1cc(O)ccc1C(=O)N1CCC(C(N)=O)C1.
What is the InChIKey of 1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide?
The InChIKey is YQHVETIVUUIAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-6-10(16)2-3-11(8)13(18)15-5-4-9(7-15)12(14)17/h2-3,6,9,16H,4-5,7H2,1H3,(H2,14,17).
What are the key properties of 1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide?
1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 103865451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).