2-(3-methoxyphenyl)-1-methyl-2,5-dihydropyrrole

C12H15NO — CID 70452828

IUPAC2-(3-methoxyphenyl)-1-methyl-2,5-dihydropyrrole
SMILESCOc1cccc(C2C=CCN2C)c1
InChIInChI=1S/C12H15NO/c1-13-8-4-7-12(13)10-5-3-6-11(9-10)14-2/h3-7,9,12H,8H2,1-2H3
InChIKeyNRPVTOMZXPOPEJ-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.24
Rot. Bonds2

About 2-(3-methoxyphenyl)-1-methyl-2,5-dihydropyrrole

2-(3-methoxyphenyl)-1-methyl-2,5-dihydropyrrole (PubChem CID 70452828) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-methyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-methyl-2,5-dihydropyrrole
PubChem CID70452828
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-(3-methoxyphenyl)-1-methyl-2,5-dihydropyrrole
SMILESCOc1cccc(C2C=CCN2C)c1
InChIInChI=1S/C12H15NO/c1-13-8-4-7-12(13)10-5-3-6-11(9-10)14-2/h3-7,9,12H,8H2,1-2H3
InChIKeyNRPVTOMZXPOPEJ-UHFFFAOYSA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-methyl-2,5-dihydropyrrole?
The IUPAC name of 2-(3-methoxyphenyl)-1-methyl-2,5-dihydropyrrole (CID 70452828) is 2-(3-methoxyphenyl)-1-methyl-2,5-dihydropyrrole.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-methyl-2,5-dihydropyrrole?
The canonical SMILES for 2-(3-methoxyphenyl)-1-methyl-2,5-dihydropyrrole is COc1cccc(C2C=CCN2C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-methyl-2,5-dihydropyrrole?
The InChIKey is NRPVTOMZXPOPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-13-8-4-7-12(13)10-5-3-6-11(9-10)14-2/h3-7,9,12H,8H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-1-methyl-2,5-dihydropyrrole?
2-(3-methoxyphenyl)-1-methyl-2,5-dihydropyrrole has a molecular weight of 189.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-methyl-2,5-dihydropyrrole is sourced from PubChem (CID 70452828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).