ethyl 2-oxo-5-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate

C19H17NO3 — CID 71200842

IUPACethyl 2-oxo-5-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
SMILESCCOC(=O)C1CC12C(=O)Nc1ccc(-c3ccccc3)cc12
InChIInChI=1S/C19H17NO3/c1-2-23-17(21)15-11-19(15)14-10-13(12-6-4-3-5-7-12)8-9-16(14)20-18(19)22/h3-10,15H,2,11H2,1H3,(H,20,22)
InChIKeyBTRHQGKPQZGTLT-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.13
Rot. Bonds3

About ethyl 2-oxo-5-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate

ethyl 2-oxo-5-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate (PubChem CID 71200842) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl 2-oxo-5-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-5-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
PubChem CID71200842
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Nameethyl 2-oxo-5-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
SMILESCCOC(=O)C1CC12C(=O)Nc1ccc(-c3ccccc3)cc12
InChIInChI=1S/C19H17NO3/c1-2-23-17(21)15-11-19(15)14-10-13(12-6-4-3-5-7-12)8-9-16(14)20-18(19)22/h3-10,15H,2,11H2,1H3,(H,20,22)
InChIKeyBTRHQGKPQZGTLT-UHFFFAOYSA-N
XLogP3.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 71200919
ethyl (1'S,3S)-5,7-dichloro-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 15956416
3,3-dimethyl-5-phenyl-1H-indol-2-one
CID 79018952
(2'S,3R)-2'-(4-methylphenyl)-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid
CID 99979195
ethyl (1'S,3'S)-3'-benzoyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 122194579
cis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane
CID 158468057
(2'S,3S)-2-oxo-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid
CID 99979078
ethyl (1R)-2-oxo-6-phenyl-3,4-dihydro-1H-naphthalene-1-carboxylate
CID 124637729
N-(2-aminoethyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide
CID 134073266
cis-ethyl (1R,2S)-2-acetyl-2-phenylcyclopropane-1-carboxylate
CID 90361588
cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate
CID 121371274
diethyl (1'S,2'S)-5-bromo-2-oxospiro[1H-indole-3,3'-cyclopropane]-1',2'-dicarboxylate
CID 122193082

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-5-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate?
The IUPAC name of ethyl 2-oxo-5-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate (CID 71200842) is ethyl 2-oxo-5-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate.
What is the SMILES notation for ethyl 2-oxo-5-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate?
The canonical SMILES for ethyl 2-oxo-5-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate is CCOC(=O)C1CC12C(=O)Nc1ccc(-c3ccccc3)cc12.
What is the InChIKey of ethyl 2-oxo-5-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate?
The InChIKey is BTRHQGKPQZGTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-2-23-17(21)15-11-19(15)14-10-13(12-6-4-3-5-7-12)8-9-16(14)20-18(19)22/h3-10,15H,2,11H2,1H3,(H,20,22).
What are the key properties of ethyl 2-oxo-5-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate?
ethyl 2-oxo-5-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-5-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate is sourced from PubChem (CID 71200842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).