ethyl 5-methyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate

C18H17NO2 — CID 18670784

IUPACethyl 5-methyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c[nH]c(C)c1-c1cccc2ccccc12
InChIInChI=1S/C18H17NO2/c1-3-21-18(20)16-11-19-12(2)17(16)15-10-6-8-13-7-4-5-9-14(13)15/h4-11,19H,3H2,1-2H3
InChIKeyLIFOCXZBSBLAHA-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.32
Rot. Bonds3

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

ethyl 5-methyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate (PubChem CID 18670784) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 5-methyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate
PubChem CID18670784
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Nameethyl 5-methyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c[nH]c(C)c1-c1cccc2ccccc12
InChIInChI=1S/C18H17NO2/c1-3-21-18(20)16-11-19-12(2)17(16)15-10-6-8-13-7-4-5-9-14(13)15/h4-11,19H,3H2,1-2H3
InChIKeyLIFOCXZBSBLAHA-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

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methyl 2,5-dimethyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate
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CID 139801143
ethyl 4,5-dinaphthalen-1-yl-3,6-bis(trifluoromethyl)pyridine-2-carboxylate
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CID 58219965

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 5-methyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate (CID 18670784) is ethyl 5-methyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate is CCOC(=O)c1c[nH]c(C)c1-c1cccc2ccccc12.
What is the InChIKey of ethyl 5-methyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate?
The InChIKey is LIFOCXZBSBLAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-3-21-18(20)16-11-19-12(2)17(16)15-10-6-8-13-7-4-5-9-14(13)15/h4-11,19H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate?
ethyl 5-methyl-4-naphthalen-1-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 5-methyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 18670784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).