ethyl N-(5-methoxy-3-oxo-1,2-dihydroinden-2-yl)carbamate

C13H15NO4 — CID 66741339

IUPACethyl N-(5-methoxy-3-oxo-1,2-dihydroinden-2-yl)carbamate
SMILESCCOC(=O)NC1Cc2ccc(OC)cc2C1=O
InChIInChI=1S/C13H15NO4/c1-3-18-13(16)14-11-6-8-4-5-9(17-2)7-10(8)12(11)15/h4-5,7,11H,3,6H2,1-2H3,(H,14,16)
InChIKeyZWRBJZVKVMPAHO-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.55
Rot. Bonds3

About ethyl N-(5-methoxy-3-oxo-1,2-dihydroinden-2-yl)carbamate

ethyl N-(5-methoxy-3-oxo-1,2-dihydroinden-2-yl)carbamate (PubChem CID 66741339) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is ethyl N-(5-methoxy-3-oxo-1,2-dihydroinden-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-methoxy-3-oxo-1,2-dihydroinden-2-yl)carbamate
PubChem CID66741339
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Nameethyl N-(5-methoxy-3-oxo-1,2-dihydroinden-2-yl)carbamate
SMILESCCOC(=O)NC1Cc2ccc(OC)cc2C1=O
InChIInChI=1S/C13H15NO4/c1-3-18-13(16)14-11-6-8-4-5-9(17-2)7-10(8)12(11)15/h4-5,7,11H,3,6H2,1-2H3,(H,14,16)
InChIKeyZWRBJZVKVMPAHO-UHFFFAOYSA-N
XLogP1.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-methoxy-3-oxo-1,2-dihydroinden-2-yl)carbamate?
The IUPAC name of ethyl N-(5-methoxy-3-oxo-1,2-dihydroinden-2-yl)carbamate (CID 66741339) is ethyl N-(5-methoxy-3-oxo-1,2-dihydroinden-2-yl)carbamate.
What is the SMILES notation for ethyl N-(5-methoxy-3-oxo-1,2-dihydroinden-2-yl)carbamate?
The canonical SMILES for ethyl N-(5-methoxy-3-oxo-1,2-dihydroinden-2-yl)carbamate is CCOC(=O)NC1Cc2ccc(OC)cc2C1=O.
What is the InChIKey of ethyl N-(5-methoxy-3-oxo-1,2-dihydroinden-2-yl)carbamate?
The InChIKey is ZWRBJZVKVMPAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-3-18-13(16)14-11-6-8-4-5-9(17-2)7-10(8)12(11)15/h4-5,7,11H,3,6H2,1-2H3,(H,14,16).
What are the key properties of ethyl N-(5-methoxy-3-oxo-1,2-dihydroinden-2-yl)carbamate?
ethyl N-(5-methoxy-3-oxo-1,2-dihydroinden-2-yl)carbamate has a molecular weight of 249.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-methoxy-3-oxo-1,2-dihydroinden-2-yl)carbamate is sourced from PubChem (CID 66741339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).