ethyl 5-oxo-4-phenylmethoxy-1,2-dihydropyrrole-3-carboxylate

C14H15NO4 — CID 127038194

IUPACethyl 5-oxo-4-phenylmethoxy-1,2-dihydropyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(OCc2ccccc2)C(=O)NC1
InChIInChI=1S/C14H15NO4/c1-2-18-14(17)11-8-15-13(16)12(11)19-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,15,16)
InChIKeyGOLVXMINNOJNRM-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.15
Rot. Bonds5

About ethyl 5-oxo-4-phenylmethoxy-1,2-dihydropyrrole-3-carboxylate

ethyl 5-oxo-4-phenylmethoxy-1,2-dihydropyrrole-3-carboxylate (PubChem CID 127038194) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 5-oxo-4-phenylmethoxy-1,2-dihydropyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-oxo-4-phenylmethoxy-1,2-dihydropyrrole-3-carboxylate
PubChem CID127038194
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Nameethyl 5-oxo-4-phenylmethoxy-1,2-dihydropyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(OCc2ccccc2)C(=O)NC1
InChIInChI=1S/C14H15NO4/c1-2-18-14(17)11-8-15-13(16)12(11)19-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,15,16)
InChIKeyGOLVXMINNOJNRM-UHFFFAOYSA-N
XLogP1.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 14033080
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CID 14991437
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CID 127042134
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CID 15666452
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CID 42226901
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CID 15948210
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CID 101570283
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-oxo-4-phenylmethoxy-1,2-dihydropyrrole-3-carboxylate?
The IUPAC name of ethyl 5-oxo-4-phenylmethoxy-1,2-dihydropyrrole-3-carboxylate (CID 127038194) is ethyl 5-oxo-4-phenylmethoxy-1,2-dihydropyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-oxo-4-phenylmethoxy-1,2-dihydropyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-oxo-4-phenylmethoxy-1,2-dihydropyrrole-3-carboxylate is CCOC(=O)C1=C(OCc2ccccc2)C(=O)NC1.
What is the InChIKey of ethyl 5-oxo-4-phenylmethoxy-1,2-dihydropyrrole-3-carboxylate?
The InChIKey is GOLVXMINNOJNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-2-18-14(17)11-8-15-13(16)12(11)19-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,15,16).
What are the key properties of ethyl 5-oxo-4-phenylmethoxy-1,2-dihydropyrrole-3-carboxylate?
ethyl 5-oxo-4-phenylmethoxy-1,2-dihydropyrrole-3-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxo-4-phenylmethoxy-1,2-dihydropyrrole-3-carboxylate is sourced from PubChem (CID 127038194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).