[(1'S,3R)-2-oxo-1'-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate

C18H15NO3 — CID 46900703

IUPAC[(1'S,3R)-2-oxo-1'-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate
SMILESCC(=O)O[C@]1(c2ccccc2)C[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C18H15NO3/c1-12(20)22-18(13-7-3-2-4-8-13)11-17(18)14-9-5-6-10-15(14)19-16(17)21/h2-10H,11H2,1H3,(H,19,21)/t17-,18-/m0/s1
InChIKeyTYSQTZCYEMCMCM-ROUUACIJSA-N
MW293.32 g/mol
LogP2.74
Rot. Bonds2

About [(1'S,3R)-2-oxo-1'-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate

[(1'S,3R)-2-oxo-1'-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate (PubChem CID 46900703) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is [(1'S,3R)-2-oxo-1'-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate.

Molecular Properties

Compound Name[(1'S,3R)-2-oxo-1'-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate
PubChem CID46900703
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name[(1'S,3R)-2-oxo-1'-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate
SMILESCC(=O)O[C@]1(c2ccccc2)C[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C18H15NO3/c1-12(20)22-18(13-7-3-2-4-8-13)11-17(18)14-9-5-6-10-15(14)19-16(17)21/h2-10H,11H2,1H3,(H,19,21)/t17-,18-/m0/s1
InChIKeyTYSQTZCYEMCMCM-ROUUACIJSA-N
XLogP2.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1'S,3R)-1'-(4-chlorophenyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate
CID 46900156
(2-oxo-3-phenyl-1H-indol-3-yl) acetate
CID 132917487
(1-phenylcyclopropyl) acetate
CID 121216912
(3S)-3-methyl-3-phenyl-1H-indol-2-one
CID 102419408
[(4R)-1,3,3-trimethyl-4-phenylpiperidin-4-yl] acetate
CID 708780
[3-(2-chloro-2-cyanoethenyl)-2-oxo-1H-indol-3-yl] acetate
CID 73097452
2'-(4-fluorophenyl)-2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 77252315
4-(3-fluoro-2-oxo-1H-indol-3-yl)butyl acetate
CID 101031126
(9-phenyl-10H-acridin-9-yl) propanoate
CID 14400641
phenyl (3S)-3-methyl-2-oxo-1H-indole-3-carboxylate
CID 102475842
3-phenoxy-3-phenyl-1H-indol-2-one
CID 86077278
methyl 9-phenyl-10H-acridine-9-carboxylate
CID 13466258

Frequently Asked Questions

What is the IUPAC name of [(1'S,3R)-2-oxo-1'-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate?
The IUPAC name of [(1'S,3R)-2-oxo-1'-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate (CID 46900703) is [(1'S,3R)-2-oxo-1'-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate.
What is the SMILES notation for [(1'S,3R)-2-oxo-1'-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate?
The canonical SMILES for [(1'S,3R)-2-oxo-1'-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate is CC(=O)O[C@]1(c2ccccc2)C[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of [(1'S,3R)-2-oxo-1'-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate?
The InChIKey is TYSQTZCYEMCMCM-ROUUACIJSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12(20)22-18(13-7-3-2-4-8-13)11-17(18)14-9-5-6-10-15(14)19-16(17)21/h2-10H,11H2,1H3,(H,19,21)/t17-,18-/m0/s1.
What are the key properties of [(1'S,3R)-2-oxo-1'-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate?
[(1'S,3R)-2-oxo-1'-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate has a molecular weight of 293.32 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1'S,3R)-2-oxo-1'-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate is sourced from PubChem (CID 46900703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).