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

C14H19NO2 — CID 82290167

IUPAC(4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
SMILESCOc1ccc(C(=O)C2CCCN2)c(C)c1C
InChIInChI=1S/C14H19NO2/c1-9-10(2)13(17-3)7-6-11(9)14(16)12-5-4-8-15-12/h6-7,12,15H,4-5,8H2,1-3H3
InChIKeyLKURDFZZPBCGJS-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.25
Rot. Bonds3

About (4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone

(4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone (PubChem CID 82290167) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
PubChem CID82290167
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
SMILESCOc1ccc(C(=O)C2CCCN2)c(C)c1C
InChIInChI=1S/C14H19NO2/c1-9-10(2)13(17-3)7-6-11(9)14(16)12-5-4-8-15-12/h6-7,12,15H,4-5,8H2,1-3H3
InChIKeyLKURDFZZPBCGJS-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-ethoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82552560
(4-methoxy-2,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82049099
(5-iodo-2-methoxyphenyl)-pyrrolidin-2-ylmethanone
CID 64866160
(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82049737
(3-hydroxy-2,4-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methanone
CID 175936464
(2-fluoro-4,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanone
CID 64867881
(2-methoxy-3,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82290165
(3-methoxy-4-propan-2-yloxyphenyl)-pyrrolidin-2-ylmethanone
CID 82552949
(7-methoxy-4-methyl-1-benzofuran-2-yl)-pyrrolidin-2-ylmethanone
CID 22734270
(2,6-dimethoxyphenyl)-piperidin-2-ylmethanone
CID 116811452
(3-tert-butyl-4-methoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82049736
(2-ethoxy-5-fluorophenyl)-pyrrolidin-2-ylmethanone
CID 82551437

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone (CID 82290167) is (4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone is COc1ccc(C(=O)C2CCCN2)c(C)c1C.
What is the InChIKey of (4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone?
The InChIKey is LKURDFZZPBCGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-10(2)13(17-3)7-6-11(9)14(16)12-5-4-8-15-12/h6-7,12,15H,4-5,8H2,1-3H3.
What are the key properties of (4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone?
(4-methoxy-2,3-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 (4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 82290167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).