(3,5-dimethylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

C14H19NO2 — CID 113249178

IUPAC(3,5-dimethylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCC(C)(O)C2)c1
InChIInChI=1S/C14H19NO2/c1-10-6-11(2)8-12(7-10)13(16)15-5-4-14(3,17)9-15/h6-8,17H,4-5,9H2,1-3H3
InChIKeyWZTYDMVPDLXHQD-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.90
Rot. Bonds1

About (3,5-dimethylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

(3,5-dimethylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (PubChem CID 113249178) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
PubChem CID113249178
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3,5-dimethylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCC(C)(O)C2)c1
InChIInChI=1S/C14H19NO2/c1-10-6-11(2)8-12(7-10)13(16)15-5-4-14(3,17)9-15/h6-8,17H,4-5,9H2,1-3H3
InChIKeyWZTYDMVPDLXHQD-UHFFFAOYSA-N
XLogP1.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113463392
(3,5-dibromo-4-hydroxyphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 136518776
(2-amino-6-methyl-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358238
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120804378
1-(3,5-dimethylbenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123254
3-amino-1-(3,5-dimethylbenzoyl)pyrrolidine-3-carboxylic acid
CID 107323029
(4-bromo-3-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103855287
(3-chloro-5-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 81323896
(3-chloro-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406073
(3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 115875217
(3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103726936
4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 103766238

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (3,5-dimethylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (CID 113249178) is (3,5-dimethylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3,5-dimethylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is Cc1cc(C)cc(C(=O)N2CCC(C)(O)C2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The InChIKey is WZTYDMVPDLXHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-6-11(2)8-12(7-10)13(16)15-5-4-14(3,17)9-15/h6-8,17H,4-5,9H2,1-3H3.
What are the key properties of (3,5-dimethylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
(3,5-dimethylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 113249178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).