ethyl 2-(8-oxospiro[5,6-dihydroindolizine-7,1'-cyclohexane]-1-yl)acetate

C17H23NO3 — CID 164899424

IUPACethyl 2-(8-oxospiro[5,6-dihydroindolizine-7,1'-cyclohexane]-1-yl)acetate
SMILESCCOC(=O)Cc1ccn2c1C(=O)C1(CCCCC1)CC2
InChIInChI=1S/C17H23NO3/c1-2-21-14(19)12-13-6-10-18-11-9-17(16(20)15(13)18)7-4-3-5-8-17/h6,10H,2-5,7-9,11-12H2,1H3
InChIKeyQUFRPUARHCGWCE-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.13
Rot. Bonds3

About ethyl 2-(8-oxospiro[5,6-dihydroindolizine-7,1'-cyclohexane]-1-yl)acetate

ethyl 2-(8-oxospiro[5,6-dihydroindolizine-7,1'-cyclohexane]-1-yl)acetate (PubChem CID 164899424) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethyl 2-(8-oxospiro[5,6-dihydroindolizine-7,1'-cyclohexane]-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(8-oxospiro[5,6-dihydroindolizine-7,1'-cyclohexane]-1-yl)acetate
PubChem CID164899424
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nameethyl 2-(8-oxospiro[5,6-dihydroindolizine-7,1'-cyclohexane]-1-yl)acetate
SMILESCCOC(=O)Cc1ccn2c1C(=O)C1(CCCCC1)CC2
InChIInChI=1S/C17H23NO3/c1-2-21-14(19)12-13-6-10-18-11-9-17(16(20)15(13)18)7-4-3-5-8-17/h6,10H,2-5,7-9,11-12H2,1H3
InChIKeyQUFRPUARHCGWCE-UHFFFAOYSA-N
XLogP3.13
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)acetate
CID 23762741
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CID 71708203
3-(1-oxo-2-azaspiro[4.5]decan-2-yl)propyl propanoate
CID 70679702
CID 101411208
CID 101411208
ethyl 2-(2-ethylphenyl)acetate
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ethyl 1-aminospiro[4H-naphthalene-3,1'-cycloheptane]-2-carboxylate
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ethyl 2-[2-(6-bromospiro[1,2-dihydroindene-3,1'-cyclohexane]-1-yl)oxyphenyl]acetate
CID 170558940
2-(2-ethoxy-2-oxoethyl)benzoic acid
CID 11367771
ethyl N-[2-[[(10E)-10-methoxyimino-9-oxo-8-azaspiro[4.5]decan-8-yl]methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate
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ethyl 1-[2-(azepan-1-yl)-2-oxoethyl]pyrrole-2-carboxylate
CID 102604458
ethyl 2-[2-(azepan-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574155
ethyl 4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazine-1-carboxylate
CID 91639709

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(8-oxospiro[5,6-dihydroindolizine-7,1'-cyclohexane]-1-yl)acetate?
The IUPAC name of ethyl 2-(8-oxospiro[5,6-dihydroindolizine-7,1'-cyclohexane]-1-yl)acetate (CID 164899424) is ethyl 2-(8-oxospiro[5,6-dihydroindolizine-7,1'-cyclohexane]-1-yl)acetate.
What is the SMILES notation for ethyl 2-(8-oxospiro[5,6-dihydroindolizine-7,1'-cyclohexane]-1-yl)acetate?
The canonical SMILES for ethyl 2-(8-oxospiro[5,6-dihydroindolizine-7,1'-cyclohexane]-1-yl)acetate is CCOC(=O)Cc1ccn2c1C(=O)C1(CCCCC1)CC2.
What is the InChIKey of ethyl 2-(8-oxospiro[5,6-dihydroindolizine-7,1'-cyclohexane]-1-yl)acetate?
The InChIKey is QUFRPUARHCGWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-21-14(19)12-13-6-10-18-11-9-17(16(20)15(13)18)7-4-3-5-8-17/h6,10H,2-5,7-9,11-12H2,1H3.
What are the key properties of ethyl 2-(8-oxospiro[5,6-dihydroindolizine-7,1'-cyclohexane]-1-yl)acetate?
ethyl 2-(8-oxospiro[5,6-dihydroindolizine-7,1'-cyclohexane]-1-yl)acetate has a molecular weight of 289.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(8-oxospiro[5,6-dihydroindolizine-7,1'-cyclohexane]-1-yl)acetate is sourced from PubChem (CID 164899424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).