methyl (2R)-2-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxylate

C13H15NO3 — CID 101262561

IUPACmethyl (2R)-2-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxylate
SMILESCOC(=O)N1CC=C[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C13H15NO3/c1-16-11-7-5-10(6-8-11)12-4-3-9-14(12)13(15)17-2/h3-8,12H,9H2,1-2H3/t12-/m1/s1
InChIKeyBGIAPFOVAIFVGY-GFCCVEGCSA-N
MW233.27 g/mol
LogP2.37
Rot. Bonds2

About methyl (2R)-2-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxylate

methyl (2R)-2-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxylate (PubChem CID 101262561) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl (2R)-2-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxylate
PubChem CID101262561
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namemethyl (2R)-2-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxylate
SMILESCOC(=O)N1CC=C[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C13H15NO3/c1-16-11-7-5-10(6-8-11)12-4-3-9-14(12)13(15)17-2/h3-8,12H,9H2,1-2H3/t12-/m1/s1
InChIKeyBGIAPFOVAIFVGY-GFCCVEGCSA-N
XLogP2.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S,5R)-2-(4-methoxyphenyl)-5-methyl-2,5-dihydropyrrole-1-carboxylate
CID 11276678
dimethyl (2S,5R)-5-(4-methoxyphenyl)-2,5-dihydropyrrole-1,2-dicarboxylate
CID 101231603
(2S,6Z)-1-(3,3-dimethylbutanoyl)-4-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-2-methyl-5,8-dihydro-2H-1,4-diazocin-3-one
CID 156602420
(6Z)-4-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-2-methyl-1-pentanoyl-5,8-dihydro-2H-1,4-diazocin-3-one
CID 24868160
tert-butyl 2-(6-amino-3-pyridinyl)-2,5-dihydropyrrole-1-carboxylate
CID 141444474
(6Z)-4-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)-5-(4-methoxyphenyl)-3-oxo-5,8-dihydro-2H-1,4-diazocine-1-carboxamide
CID 56965473
(2Z)-2-[5-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]acetic acid
CID 45051545
methyl (1S)-1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carboxylate
CID 18634506
tert-butyl (6S)-6-(4-methoxycarbonylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 163661065
ditert-butyl (2S,5S)-5-(4-methoxyphenyl)-2,5-dihydropyrrole-1,2-dicarboxylate
CID 101231607
1-O-tert-butyl 2-O-methyl (2R,5S)-5-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxylate
CID 98010212
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide
CID 43635290

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxylate?
The IUPAC name of methyl (2R)-2-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxylate (CID 101262561) is methyl (2R)-2-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxylate.
What is the SMILES notation for methyl (2R)-2-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxylate?
The canonical SMILES for methyl (2R)-2-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxylate is COC(=O)N1CC=C[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of methyl (2R)-2-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxylate?
The InChIKey is BGIAPFOVAIFVGY-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15NO3/c1-16-11-7-5-10(6-8-11)12-4-3-9-14(12)13(15)17-2/h3-8,12H,9H2,1-2H3/t12-/m1/s1.
What are the key properties of methyl (2R)-2-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxylate?
methyl (2R)-2-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 101262561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).