2-(3,4-dimethoxyphenyl)-1-methyl-2,3-dihydropyrrole

C13H17NO2 — CID 175962476

IUPAC2-(3,4-dimethoxyphenyl)-1-methyl-2,3-dihydropyrrole
SMILESCOc1ccc(C2CC=CN2C)cc1OC
InChIInChI=1S/C13H17NO2/c1-14-8-4-5-11(14)10-6-7-12(15-2)13(9-10)16-3/h4,6-9,11H,5H2,1-3H3
InChIKeyZXCTYBWFOUNYLC-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.59
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-1-methyl-2,3-dihydropyrrole

2-(3,4-dimethoxyphenyl)-1-methyl-2,3-dihydropyrrole (PubChem CID 175962476) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-methyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-methyl-2,3-dihydropyrrole
PubChem CID175962476
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(3,4-dimethoxyphenyl)-1-methyl-2,3-dihydropyrrole
SMILESCOc1ccc(C2CC=CN2C)cc1OC
InChIInChI=1S/C13H17NO2/c1-14-8-4-5-11(14)10-6-7-12(15-2)13(9-10)16-3/h4,6-9,11H,5H2,1-3H3
InChIKeyZXCTYBWFOUNYLC-UHFFFAOYSA-N
XLogP2.59
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
2-(3,4-dimethoxyphenyl)-1-phenylaziridine
CID 10682448
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
2-(3,4-dimethoxyphenyl)-1-methyl-1,4-diazepane
CID 82623166
5-(3,4-dimethoxyphenyl)-2-methoxy-4-methylmorpholine
CID 102314762
4-[(1R,2R,3S,4S)-2-(3,4-dimethoxyphenyl)-3,4-dimethylcyclobutyl]-1,2-dimethoxybenzene
CID 16756782
4-[(1S,2S,3R,4R)-2-(3,4-dimethoxyphenyl)-3,4-dimethylcyclobutyl]-1,2-dimethoxybenzene
CID 166441849
2,5-bis(3,4-dimethoxyphenyl)oxolane
CID 13491508
3-(3,4-dimethoxyphenyl)azetidine
CID 75355862
(2R)-1-(4-chlorobutyl)-2-(3,4-dimethoxyphenyl)-2,3-dihydropyridin-4-one
CID 24750850
(2R,4aR,7aR)-2-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 102517137
5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 2883031

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-methyl-2,3-dihydropyrrole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-methyl-2,3-dihydropyrrole (CID 175962476) is 2-(3,4-dimethoxyphenyl)-1-methyl-2,3-dihydropyrrole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-methyl-2,3-dihydropyrrole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-methyl-2,3-dihydropyrrole is COc1ccc(C2CC=CN2C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-methyl-2,3-dihydropyrrole?
The InChIKey is ZXCTYBWFOUNYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-14-8-4-5-11(14)10-6-7-12(15-2)13(9-10)16-3/h4,6-9,11H,5H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-methyl-2,3-dihydropyrrole?
2-(3,4-dimethoxyphenyl)-1-methyl-2,3-dihydropyrrole has a molecular weight of 219.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-methyl-2,3-dihydropyrrole is sourced from PubChem (CID 175962476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).