ethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate

C16H19NO4 — CID 2427313

IUPACethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2
InChIInChI=1S/C16H19NO4/c1-2-20-15(19)17-9-7-16(8-10-17)11-13(18)12-5-3-4-6-14(12)21-16/h3-6H,2,7-11H2,1H3
InChIKeyXMHHDTIHBBGRQT-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.64
Rot. Bonds1

About ethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate

ethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate (PubChem CID 2427313) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is ethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
PubChem CID2427313
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Nameethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2
InChIInChI=1S/C16H19NO4/c1-2-20-15(19)17-9-7-16(8-10-17)11-13(18)12-5-3-4-6-14(12)21-16/h3-6H,2,7-11H2,1H3
InChIKeyXMHHDTIHBBGRQT-UHFFFAOYSA-N
XLogP2.64
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of ethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate (CID 2427313) is ethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for ethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for ethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate is CCOC(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2.
What is the InChIKey of ethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate?
The InChIKey is XMHHDTIHBBGRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-2-20-15(19)17-9-7-16(8-10-17)11-13(18)12-5-3-4-6-14(12)21-16/h3-6H,2,7-11H2,1H3.
What are the key properties of ethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate?
ethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 2427313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).