(4-oxooxolan-2-yl)methyl 2-phenyl-1H-pyrrole-3-carboxylate

C16H15NO4 — CID 166303324

IUPAC(4-oxooxolan-2-yl)methyl 2-phenyl-1H-pyrrole-3-carboxylate
SMILESO=C1COC(COC(=O)c2cc[nH]c2-c2ccccc2)C1
InChIInChI=1S/C16H15NO4/c18-12-8-13(20-9-12)10-21-16(19)14-6-7-17-15(14)11-4-2-1-3-5-11/h1-7,13,17H,8-10H2
InChIKeyNYJPEDWNGGARLD-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.20
Rot. Bonds4

About (4-oxooxolan-2-yl)methyl 2-phenyl-1H-pyrrole-3-carboxylate

(4-oxooxolan-2-yl)methyl 2-phenyl-1H-pyrrole-3-carboxylate (PubChem CID 166303324) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (4-oxooxolan-2-yl)methyl 2-phenyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Name(4-oxooxolan-2-yl)methyl 2-phenyl-1H-pyrrole-3-carboxylate
PubChem CID166303324
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name(4-oxooxolan-2-yl)methyl 2-phenyl-1H-pyrrole-3-carboxylate
SMILESO=C1COC(COC(=O)c2cc[nH]c2-c2ccccc2)C1
InChIInChI=1S/C16H15NO4/c18-12-8-13(20-9-12)10-21-16(19)14-6-7-17-15(14)11-4-2-1-3-5-11/h1-7,13,17H,8-10H2
InChIKeyNYJPEDWNGGARLD-UHFFFAOYSA-N
XLogP2.20
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-oxooxolan-2-yl)methyl 2-phenyl-1H-pyrrole-3-carboxylate?
The IUPAC name of (4-oxooxolan-2-yl)methyl 2-phenyl-1H-pyrrole-3-carboxylate (CID 166303324) is (4-oxooxolan-2-yl)methyl 2-phenyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for (4-oxooxolan-2-yl)methyl 2-phenyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for (4-oxooxolan-2-yl)methyl 2-phenyl-1H-pyrrole-3-carboxylate is O=C1COC(COC(=O)c2cc[nH]c2-c2ccccc2)C1.
What is the InChIKey of (4-oxooxolan-2-yl)methyl 2-phenyl-1H-pyrrole-3-carboxylate?
The InChIKey is NYJPEDWNGGARLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-12-8-13(20-9-12)10-21-16(19)14-6-7-17-15(14)11-4-2-1-3-5-11/h1-7,13,17H,8-10H2.
What are the key properties of (4-oxooxolan-2-yl)methyl 2-phenyl-1H-pyrrole-3-carboxylate?
(4-oxooxolan-2-yl)methyl 2-phenyl-1H-pyrrole-3-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxooxolan-2-yl)methyl 2-phenyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 166303324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).