methyl 5-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate

C14H17NO4 — CID 154373280

IUPACmethyl 5-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate
SMILESCOC(=O)C1CC=C(c2ccc(OC)c(OC)c2)N1
InChIInChI=1S/C14H17NO4/c1-17-12-7-4-9(8-13(12)18-2)10-5-6-11(15-10)14(16)19-3/h4-5,7-8,11,15H,6H2,1-3H3
InChIKeyMTLKPPYQPYGFSF-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.58
Rot. Bonds4

About methyl 5-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate

methyl 5-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate (PubChem CID 154373280) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 5-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate
PubChem CID154373280
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 5-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate
SMILESCOC(=O)C1CC=C(c2ccc(OC)c(OC)c2)N1
InChIInChI=1S/C14H17NO4/c1-17-12-7-4-9(8-13(12)18-2)10-5-6-11(15-10)14(16)19-3/h4-5,7-8,11,15H,6H2,1-3H3
InChIKeyMTLKPPYQPYGFSF-UHFFFAOYSA-N
XLogP1.58
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethoxyphenyl)-N'-hydroxy-2,3-dihydro-1,3-thiazole-2-carboximidamide
CID 142831926
methyl 4-(3,4-dimethoxyphenyl)benzoate
CID 14570120
methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
CID 14750800
cis-methyl (1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 125470953
4-(3,4-dimethoxyphenyl)benzamide
CID 152593806
methyl (2S,3R,5S)-2-(3,4-dimethoxyphenyl)-5-methylpiperidine-3-carboxylate
CID 10957323
methyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981204
N-(cyclohexylmethyl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 71824298
methyl 3-chloro-1-(3,4-dimethoxyphenyl)-4-methyl-5,6,7,8-tetrahydroisoquinoline-6-carboxylate
CID 134913357
methyl (3R,5R)-5-(3,4-dimethoxyphenyl)-2-oxooxolane-3-carboxylate
CID 90662250
2-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 62250258
N,3-dihydroxy-5-[4-methoxy-3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-pyrrole-2-carboxamide
CID 142923818

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 5-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate (CID 154373280) is methyl 5-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 5-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate is COC(=O)C1CC=C(c2ccc(OC)c(OC)c2)N1.
What is the InChIKey of methyl 5-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate?
The InChIKey is MTLKPPYQPYGFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-17-12-7-4-9(8-13(12)18-2)10-5-6-11(15-10)14(16)19-3/h4-5,7-8,11,15H,6H2,1-3H3.
What are the key properties of methyl 5-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate?
methyl 5-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 154373280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).