(2-methylphenyl)-(2-methylpyrrolidin-3-yl)methanone

C13H17NO — CID 116592208

IUPAC(2-methylphenyl)-(2-methylpyrrolidin-3-yl)methanone
SMILESCc1ccccc1C(=O)C1CCNC1C
InChIInChI=1S/C13H17NO/c1-9-5-3-4-6-11(9)13(15)12-7-8-14-10(12)2/h3-6,10,12,14H,7-8H2,1-2H3
InChIKeyLYHIANNDYIONMA-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.18
Rot. Bonds2

About (2-methylphenyl)-(2-methylpyrrolidin-3-yl)methanone

(2-methylphenyl)-(2-methylpyrrolidin-3-yl)methanone (PubChem CID 116592208) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (2-methylphenyl)-(2-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(2-methylphenyl)-(2-methylpyrrolidin-3-yl)methanone
PubChem CID116592208
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(2-methylphenyl)-(2-methylpyrrolidin-3-yl)methanone
SMILESCc1ccccc1C(=O)C1CCNC1C
InChIInChI=1S/C13H17NO/c1-9-5-3-4-6-11(9)13(15)12-7-8-14-10(12)2/h3-6,10,12,14H,7-8H2,1-2H3
InChIKeyLYHIANNDYIONMA-UHFFFAOYSA-N
XLogP2.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-(2-methylbenzoyl)cyclohexane-1-carboxylic acid
CID 24722414
cis-(1R,2S)-2-(2-methylbenzoyl)cyclopentane-1-carboxylic acid
CID 24722312
(2,5-dichlorophenyl)-(2-methylpyrrolidin-3-yl)methanone
CID 116592107
isoquinolin-5-yl-(2-methylpyrrolidin-3-yl)methanone
CID 116592253
(2-methylpyrrolidin-3-yl)-(1H-pyrrol-2-yl)methanone
CID 130527867
N-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382669
cyclooctyl-(2-methylphenyl)methanone
CID 80602643
N,2-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 79388643
(2-methylpyrrolidin-3-yl)-thiophen-3-ylmethanone
CID 116592037
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
CID 10887930
(3-fluoro-5-methylphenyl)-(2-methylpyrrolidin-3-yl)methanone
CID 116592049
3-(dimethylamino)-1-(2-methylphenyl)prop-2-yn-1-one
CID 116825545

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-(2-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (2-methylphenyl)-(2-methylpyrrolidin-3-yl)methanone (CID 116592208) is (2-methylphenyl)-(2-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (2-methylphenyl)-(2-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (2-methylphenyl)-(2-methylpyrrolidin-3-yl)methanone is Cc1ccccc1C(=O)C1CCNC1C.
What is the InChIKey of (2-methylphenyl)-(2-methylpyrrolidin-3-yl)methanone?
The InChIKey is LYHIANNDYIONMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9-5-3-4-6-11(9)13(15)12-7-8-14-10(12)2/h3-6,10,12,14H,7-8H2,1-2H3.
What are the key properties of (2-methylphenyl)-(2-methylpyrrolidin-3-yl)methanone?
(2-methylphenyl)-(2-methylpyrrolidin-3-yl)methanone has a molecular weight of 203.29 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-(2-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 116592208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).