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

C14H19NO2 — CID 82290165

IUPAC(2-methoxy-3,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
SMILESCOc1c(C)cc(C)cc1C(=O)C1CCCN1
InChIInChI=1S/C14H19NO2/c1-9-7-10(2)14(17-3)11(8-9)13(16)12-5-4-6-15-12/h7-8,12,15H,4-6H2,1-3H3
InChIKeyVJGXGJDODPNCTM-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.25
Rot. Bonds3

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

(2-methoxy-3,5-dimethylphenyl)-pyrrolidin-2-ylmethanone (PubChem CID 82290165) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2-methoxy-3,5-dimethylphenyl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(2-methoxy-3,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
PubChem CID82290165
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2-methoxy-3,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
SMILESCOc1c(C)cc(C)cc1C(=O)C1CCCN1
InChIInChI=1S/C14H19NO2/c1-9-7-10(2)14(17-3)11(8-9)13(16)12-5-4-6-15-12/h7-8,12,15H,4-6H2,1-3H3
InChIKeyVJGXGJDODPNCTM-UHFFFAOYSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-2,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82049099
N-(2-methoxy-3,5-dimethylphenyl)-N-methylpyrrolidine-2-carboxamide
CID 115159221
(2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone
CID 82498560
(4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82290167
(4,6-dimethyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 84630313
(5-chloro-2-methoxy-3-propan-2-ylphenyl)-pyrrolidin-2-ylmethanone
CID 82552813
azepan-2-yl-(2,4-dimethylphenyl)methanone
CID 116582486
(2-fluoro-4,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanone
CID 64867881
(3,5-dimethylphenyl)-piperidin-2-ylmethanone
CID 82285234
(5-iodo-2-methoxyphenyl)-pyrrolidin-2-ylmethanone
CID 64866160
(2-ethylsulfanyl-5-methylphenyl)-pyrrolidin-2-ylmethanone
CID 82553377
(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82049737

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3,5-dimethylphenyl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (2-methoxy-3,5-dimethylphenyl)-pyrrolidin-2-ylmethanone (CID 82290165) is (2-methoxy-3,5-dimethylphenyl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (2-methoxy-3,5-dimethylphenyl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (2-methoxy-3,5-dimethylphenyl)-pyrrolidin-2-ylmethanone is COc1c(C)cc(C)cc1C(=O)C1CCCN1.
What is the InChIKey of (2-methoxy-3,5-dimethylphenyl)-pyrrolidin-2-ylmethanone?
The InChIKey is VJGXGJDODPNCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-7-10(2)14(17-3)11(8-9)13(16)12-5-4-6-15-12/h7-8,12,15H,4-6H2,1-3H3.
What are the key properties of (2-methoxy-3,5-dimethylphenyl)-pyrrolidin-2-ylmethanone?
(2-methoxy-3,5-dimethylphenyl)-pyrrolidin-2-ylmethanone has a molecular weight of 233.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3,5-dimethylphenyl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 82290165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).