(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone

C14H19NO3 — CID 110749717

IUPAC(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(C)C2)cc1OC
InChIInChI=1S/C14H19NO3/c1-10-6-7-15(9-10)14(16)11-4-5-12(17-2)13(8-11)18-3/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyIUEPZAYEEWQGCU-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.19
Rot. Bonds3

About (3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone

(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 110749717) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
PubChem CID110749717
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(C)C2)cc1OC
InChIInChI=1S/C14H19NO3/c1-10-6-7-15(9-10)14(16)11-4-5-12(17-2)13(8-11)18-3/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyIUEPZAYEEWQGCU-UHFFFAOYSA-N
XLogP2.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-methoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61226218
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55065169
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428147
[3-(diethylamino)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 110441411
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95970544
(3,4-dimethoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662312
(3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261492
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
(3,4-dimethoxyphenyl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone
CID 128974421
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 95285624

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone (CID 110749717) is (3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone is COc1ccc(C(=O)N2CCC(C)C2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is IUEPZAYEEWQGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-6-7-15(9-10)14(16)11-4-5-12(17-2)13(8-11)18-3/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone?
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 110749717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).