ethyl 3-methyl-2'-oxospiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate

C14H15N3O3 — CID 139227778

IUPACethyl 3-methyl-2'-oxospiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate
SMILESCCOC(=O)C1C(C)=NNC12C(=O)Nc1ccccc12
InChIInChI=1S/C14H15N3O3/c1-3-20-12(18)11-8(2)16-17-14(11)9-6-4-5-7-10(9)15-13(14)19/h4-7,11,17H,3H2,1-2H3,(H,15,19)
InChIKeyPLRDUAICWMSJHY-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.99
Rot. Bonds2

About ethyl 3-methyl-2'-oxospiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate

ethyl 3-methyl-2'-oxospiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate (PubChem CID 139227778) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl 3-methyl-2'-oxospiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-2'-oxospiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate
PubChem CID139227778
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Nameethyl 3-methyl-2'-oxospiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate
SMILESCCOC(=O)C1C(C)=NNC12C(=O)Nc1ccccc12
InChIInChI=1S/C14H15N3O3/c1-3-20-12(18)11-8(2)16-17-14(11)9-6-4-5-7-10(9)15-13(14)19/h4-7,11,17H,3H2,1-2H3,(H,15,19)
InChIKeyPLRDUAICWMSJHY-UHFFFAOYSA-N
XLogP0.99
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2'-amino-2-oxospiro[1H-indole-3,4'-5,6,7,8-tetrahydro-3H-quinoline]-3'-carboxylate
CID 74441230
ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate
CID 143412734
ethyl 3,3-dimethyl-2,5-dioxo-1,4-dihydro-1-benzazepine-4-carboxylate
CID 59851585
ethyl (1'S,3'S)-3'-benzoyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 122194579
ethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate
CID 11195429
ethyl (1'R,3R,3'R)-2-oxo-3'-pyridin-3-ylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 102153182
ethyl (1'R,2'R,3S,4'R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate
CID 102597403
diethyl 2,4-dimethyl-1,3-dihydro-1,5-benzodiazepine-2,3-dicarboxylate
CID 156598538
ethyl (3R,4S)-3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate
CID 11258902
ethyl (1'S,3R,5'R,6'S)-2,4'-dioxo-1'-phenylspiro[1H-indole-3,7'-8-oxabicyclo[3.2.1]octane]-6'-carboxylate
CID 11349847
N-(3-methyl-2-oxo-1H-indol-3-yl)propanamide
CID 148811384
ethyl 2-oxo-3,4-dihydro-1H-quinazoline-4-carboxylate
CID 22956885

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-2'-oxospiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate?
The IUPAC name of ethyl 3-methyl-2'-oxospiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate (CID 139227778) is ethyl 3-methyl-2'-oxospiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-2'-oxospiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-2'-oxospiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate is CCOC(=O)C1C(C)=NNC12C(=O)Nc1ccccc12.
What is the InChIKey of ethyl 3-methyl-2'-oxospiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate?
The InChIKey is PLRDUAICWMSJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-20-12(18)11-8(2)16-17-14(11)9-6-4-5-7-10(9)15-13(14)19/h4-7,11,17H,3H2,1-2H3,(H,15,19).
What are the key properties of ethyl 3-methyl-2'-oxospiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate?
ethyl 3-methyl-2'-oxospiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-2'-oxospiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate is sourced from PubChem (CID 139227778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).