methyl 5-methyl-1-naphthalen-1-yl-2-oxo-3H-pyrrole-4-carboxylate

C17H15NO3 — CID 923198

IUPACmethyl 5-methyl-1-naphthalen-1-yl-2-oxo-3H-pyrrole-4-carboxylate
SMILESCOC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)C1
InChIInChI=1S/C17H15NO3/c1-11-14(17(20)21-2)10-16(19)18(11)15-9-5-7-12-6-3-4-8-13(12)15/h3-9H,10H2,1-2H3
InChIKeyQZANMOLNKIESNI-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.02
Rot. Bonds2

About methyl 5-methyl-1-naphthalen-1-yl-2-oxo-3H-pyrrole-4-carboxylate

methyl 5-methyl-1-naphthalen-1-yl-2-oxo-3H-pyrrole-4-carboxylate (PubChem CID 923198) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 5-methyl-1-naphthalen-1-yl-2-oxo-3H-pyrrole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-1-naphthalen-1-yl-2-oxo-3H-pyrrole-4-carboxylate
PubChem CID923198
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namemethyl 5-methyl-1-naphthalen-1-yl-2-oxo-3H-pyrrole-4-carboxylate
SMILESCOC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)C1
InChIInChI=1S/C17H15NO3/c1-11-14(17(20)21-2)10-16(19)18(11)15-9-5-7-12-6-3-4-8-13(12)15/h3-9H,10H2,1-2H3
InChIKeyQZANMOLNKIESNI-UHFFFAOYSA-N
XLogP3.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-1-naphthalen-1-yl-2-oxo-3H-pyrrole-4-carboxylate?
The IUPAC name of methyl 5-methyl-1-naphthalen-1-yl-2-oxo-3H-pyrrole-4-carboxylate (CID 923198) is methyl 5-methyl-1-naphthalen-1-yl-2-oxo-3H-pyrrole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-1-naphthalen-1-yl-2-oxo-3H-pyrrole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-1-naphthalen-1-yl-2-oxo-3H-pyrrole-4-carboxylate is COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)C1.
What is the InChIKey of methyl 5-methyl-1-naphthalen-1-yl-2-oxo-3H-pyrrole-4-carboxylate?
The InChIKey is QZANMOLNKIESNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-11-14(17(20)21-2)10-16(19)18(11)15-9-5-7-12-6-3-4-8-13(12)15/h3-9H,10H2,1-2H3.
What are the key properties of methyl 5-methyl-1-naphthalen-1-yl-2-oxo-3H-pyrrole-4-carboxylate?
methyl 5-methyl-1-naphthalen-1-yl-2-oxo-3H-pyrrole-4-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-1-naphthalen-1-yl-2-oxo-3H-pyrrole-4-carboxylate is sourced from PubChem (CID 923198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).