ethyl 4-(2,3-dihydroindole-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

C18H20N2O3 — CID 3235591

IUPACethyl 4-(2,3-dihydroindole-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(C(=O)N2CCc3ccccc32)c1C
InChIInChI=1S/C18H20N2O3/c1-4-23-18(22)16-11(2)15(12(3)19-16)17(21)20-10-9-13-7-5-6-8-14(13)20/h5-8,19H,4,9-10H2,1-3H3
InChIKeyBZHUUIUCHDNUNV-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.01
Rot. Bonds3

About ethyl 4-(2,3-dihydroindole-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

ethyl 4-(2,3-dihydroindole-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (PubChem CID 3235591) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl 4-(2,3-dihydroindole-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,3-dihydroindole-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
PubChem CID3235591
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Nameethyl 4-(2,3-dihydroindole-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(C(=O)N2CCc3ccccc32)c1C
InChIInChI=1S/C18H20N2O3/c1-4-23-18(22)16-11(2)15(12(3)19-16)17(21)20-10-9-13-7-5-6-8-14(13)20/h5-8,19H,4,9-10H2,1-3H3
InChIKeyBZHUUIUCHDNUNV-UHFFFAOYSA-N
XLogP3.01
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,3-dihydroindole-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-(2,3-dihydroindole-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CID 3235591) is ethyl 4-(2,3-dihydroindole-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-(2,3-dihydroindole-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-(2,3-dihydroindole-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(C)c(C(=O)N2CCc3ccccc32)c1C.
What is the InChIKey of ethyl 4-(2,3-dihydroindole-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The InChIKey is BZHUUIUCHDNUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-4-23-18(22)16-11(2)15(12(3)19-16)17(21)20-10-9-13-7-5-6-8-14(13)20/h5-8,19H,4,9-10H2,1-3H3.
What are the key properties of ethyl 4-(2,3-dihydroindole-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
ethyl 4-(2,3-dihydroindole-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,3-dihydroindole-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 3235591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).