ethyl 1'-acetyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate

C17H19NO4 — CID 11722386

IUPACethyl 1'-acetyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C1(CCCC1)C(=O)N2C(C)=O
InChIInChI=1S/C17H19NO4/c1-3-22-15(20)12-6-7-14-13(10-12)17(8-4-5-9-17)16(21)18(14)11(2)19/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyLETXIEBQKHJSEV-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.57
Rot. Bonds2

About ethyl 1'-acetyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate

ethyl 1'-acetyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate (PubChem CID 11722386) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is ethyl 1'-acetyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate.

Molecular Properties

Compound Nameethyl 1'-acetyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate
PubChem CID11722386
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Nameethyl 1'-acetyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C1(CCCC1)C(=O)N2C(C)=O
InChIInChI=1S/C17H19NO4/c1-3-22-15(20)12-6-7-14-13(10-12)17(8-4-5-9-17)16(21)18(14)11(2)19/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyLETXIEBQKHJSEV-UHFFFAOYSA-N
XLogP2.57
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1'-acetyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate?
The IUPAC name of ethyl 1'-acetyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate (CID 11722386) is ethyl 1'-acetyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate.
What is the SMILES notation for ethyl 1'-acetyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate?
The canonical SMILES for ethyl 1'-acetyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate is CCOC(=O)c1ccc2c(c1)C1(CCCC1)C(=O)N2C(C)=O.
What is the InChIKey of ethyl 1'-acetyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate?
The InChIKey is LETXIEBQKHJSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-3-22-15(20)12-6-7-14-13(10-12)17(8-4-5-9-17)16(21)18(14)11(2)19/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of ethyl 1'-acetyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate?
ethyl 1'-acetyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate has a molecular weight of 301.34 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1'-acetyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate is sourced from PubChem (CID 11722386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).