(3,4-dimethoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone

C14H19NO3 — CID 116572555

IUPAC(3,4-dimethoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone
SMILESCOc1ccc(C(=O)C2CNCC2C)cc1OC
InChIInChI=1S/C14H19NO3/c1-9-7-15-8-11(9)14(16)10-4-5-12(17-2)13(6-10)18-3/h4-6,9,11,15H,7-8H2,1-3H3
InChIKeySBKKPKYCGKQFBC-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.74
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone

(3,4-dimethoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone (PubChem CID 116572555) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone
PubChem CID116572555
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(3,4-dimethoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone
SMILESCOc1ccc(C(=O)C2CNCC2C)cc1OC
InChIInChI=1S/C14H19NO3/c1-9-7-15-8-11(9)14(16)10-4-5-12(17-2)13(6-10)18-3/h4-6,9,11,15H,7-8H2,1-3H3
InChIKeySBKKPKYCGKQFBC-UHFFFAOYSA-N
XLogP1.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone
CID 116572516
(3,4-dimethoxyphenyl)-(2-methylpyrrolidin-3-yl)methanone
CID 116592106
(3,4-dimethoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63909017
(4-tert-butylphenyl)-(4-methylpyrrolidin-3-yl)methanone
CID 116572660
7-azabicyclo[2.2.1]heptan-2-yl-(3,4-dimethoxyphenyl)methanone
CID 116575997
2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572657
3,4-dimethoxy-N-(4-methylpiperidin-3-yl)benzamide
CID 63326349
N-(4,5-dimethoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714118
N-(5-tert-butyl-2-methoxyphenyl)-4-methylpyrrolidine-3-carboxamide
CID 63716109
4-(3,4-dimethoxybenzoyl)oxetan-2-one
CID 117059900
(3-chloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176355
(3S,5R)-5-[(3,4-dimethoxybenzoyl)amino]piperidine-3-carboxylic acid
CID 141160918

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone (CID 116572555) is (3,4-dimethoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone is COc1ccc(C(=O)C2CNCC2C)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone?
The InChIKey is SBKKPKYCGKQFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9-7-15-8-11(9)14(16)10-4-5-12(17-2)13(6-10)18-3/h4-6,9,11,15H,7-8H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone?
(3,4-dimethoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 116572555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).