(2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone

C13H17NO — CID 116568434

IUPAC(2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone
SMILESCc1ccc(C)c(C(=O)C2CCNC2)c1
InChIInChI=1S/C13H17NO/c1-9-3-4-10(2)12(7-9)13(15)11-5-6-14-8-11/h3-4,7,11,14H,5-6,8H2,1-2H3
InChIKeyZLLUGXNNHMYSIP-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.10
Rot. Bonds2

About (2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone

(2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone (PubChem CID 116568434) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone
PubChem CID116568434
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone
SMILESCc1ccc(C)c(C(=O)C2CCNC2)c1
InChIInChI=1S/C13H17NO/c1-9-3-4-10(2)12(7-9)13(15)11-5-6-14-8-11/h3-4,7,11,14H,5-6,8H2,1-2H3
InChIKeyZLLUGXNNHMYSIP-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-tert-butyl-2-methylphenyl)-pyrrolidin-3-ylmethanone
CID 116916850
pyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone
CID 116568229
8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone
CID 171944503
(5-tert-butyl-2-methylphenyl)-piperidin-4-ylmethanone
CID 82049671
(4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone
CID 116557468
2,5-dimethyl-N-(4-methylpiperidin-3-yl)benzamide
CID 63325964
(3-aminocyclobutyl)-(2,5-dimethylphenyl)methanone
CID 116917656
(1,5-dimethylindol-3-yl)-piperidin-4-ylmethanone
CID 82499713
azetidin-3-yl-(2-fluoro-5-methylphenyl)methanone
CID 116583692
(3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone
CID 107129727
(2-ethylsulfanyl-5-methylphenyl)-piperidin-4-ylmethanone
CID 82553379
(2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone
CID 62302314

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone (CID 116568434) is (2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone is Cc1ccc(C)c(C(=O)C2CCNC2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone?
The InChIKey is ZLLUGXNNHMYSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9-3-4-10(2)12(7-9)13(15)11-5-6-14-8-11/h3-4,7,11,14H,5-6,8H2,1-2H3.
What are the key properties of (2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone?
(2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone has a molecular weight of 203.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 116568434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).