ethyl 2-methyl-5-naphthalen-2-yl-1H-pyrrole-3-carboxylate

C18H17NO2 — CID 135022067

IUPACethyl 2-methyl-5-naphthalen-2-yl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc3ccccc3c2)[nH]c1C
InChIInChI=1S/C18H17NO2/c1-3-21-18(20)16-11-17(19-12(16)2)15-9-8-13-6-4-5-7-14(13)10-15/h4-11,19H,3H2,1-2H3
InChIKeyZXMULXRTZQQZBK-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.32
Rot. Bonds3

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

ethyl 2-methyl-5-naphthalen-2-yl-1H-pyrrole-3-carboxylate (PubChem CID 135022067) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 2-methyl-5-naphthalen-2-yl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-naphthalen-2-yl-1H-pyrrole-3-carboxylate
PubChem CID135022067
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Nameethyl 2-methyl-5-naphthalen-2-yl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc3ccccc3c2)[nH]c1C
InChIInChI=1S/C18H17NO2/c1-3-21-18(20)16-11-17(19-12(16)2)15-9-8-13-6-4-5-7-14(13)10-15/h4-11,19H,3H2,1-2H3
InChIKeyZXMULXRTZQQZBK-UHFFFAOYSA-N
XLogP4.32
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 5-[4-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-2-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxylate
CID 135021728
ethyl 4-bromo-2-naphthalen-2-ylbenzoate
CID 121421560
2-amino-5-naphthalen-2-yl-1H-pyrrole-3-carboxylic acid
CID 82364972
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
ethyl 2-amino-5-(3-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 23282732
ethyl 2-phenyl-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxylate
CID 170695775
ethyl 2-hydroxy-3-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)propanoate
CID 57016412
ethyl 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylate
CID 102028571
ethyl 3-chloronaphthalene-2-carboxylate
CID 90487598
ethyl 5-[4-(dimethylamino)phenyl]-2-phenyl-1H-pyrrole-3-carboxylate
CID 170695559
ethyl 1-methyl-5-naphthalen-2-yl-1,2,4-triazole-3-carboxylate
CID 63382046
ethyl 2-(2-acetylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 14144337

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-naphthalen-2-yl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-methyl-5-naphthalen-2-yl-1H-pyrrole-3-carboxylate (CID 135022067) is ethyl 2-methyl-5-naphthalen-2-yl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-naphthalen-2-yl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-naphthalen-2-yl-1H-pyrrole-3-carboxylate is CCOC(=O)c1cc(-c2ccc3ccccc3c2)[nH]c1C.
What is the InChIKey of ethyl 2-methyl-5-naphthalen-2-yl-1H-pyrrole-3-carboxylate?
The InChIKey is ZXMULXRTZQQZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-3-21-18(20)16-11-17(19-12(16)2)15-9-8-13-6-4-5-7-14(13)10-15/h4-11,19H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-5-naphthalen-2-yl-1H-pyrrole-3-carboxylate?
ethyl 2-methyl-5-naphthalen-2-yl-1H-pyrrole-3-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-naphthalen-2-yl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 135022067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).