methyl 3-hydroxy-1'-methyl-2'-oxo-1-propa-1,2-dienylspiro[cyclopropane-2,3'-indole]-1-carboxylate

C16H15NO4 — CID 135012786

IUPACmethyl 3-hydroxy-1'-methyl-2'-oxo-1-propa-1,2-dienylspiro[cyclopropane-2,3'-indole]-1-carboxylate
SMILESC=C=CC1(C(=O)OC)C(O)C12C(=O)N(C)c1ccccc12
InChIInChI=1S/C16H15NO4/c1-4-9-15(14(20)21-3)12(18)16(15)10-7-5-6-8-11(10)17(2)13(16)19/h5-9,12,18H,1H2,2-3H3
InChIKeyFYHKWBVRFGMLHM-UHFFFAOYSA-N
MW285.30 g/mol
LogP0.78
Rot. Bonds2

About methyl 3-hydroxy-1'-methyl-2'-oxo-1-propa-1,2-dienylspiro[cyclopropane-2,3'-indole]-1-carboxylate

methyl 3-hydroxy-1'-methyl-2'-oxo-1-propa-1,2-dienylspiro[cyclopropane-2,3'-indole]-1-carboxylate (PubChem CID 135012786) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 3-hydroxy-1'-methyl-2'-oxo-1-propa-1,2-dienylspiro[cyclopropane-2,3'-indole]-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-1'-methyl-2'-oxo-1-propa-1,2-dienylspiro[cyclopropane-2,3'-indole]-1-carboxylate
PubChem CID135012786
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Namemethyl 3-hydroxy-1'-methyl-2'-oxo-1-propa-1,2-dienylspiro[cyclopropane-2,3'-indole]-1-carboxylate
SMILESC=C=CC1(C(=O)OC)C(O)C12C(=O)N(C)c1ccccc12
InChIInChI=1S/C16H15NO4/c1-4-9-15(14(20)21-3)12(18)16(15)10-7-5-6-8-11(10)17(2)13(16)19/h5-9,12,18H,1H2,2-3H3
InChIKeyFYHKWBVRFGMLHM-UHFFFAOYSA-N
XLogP0.78
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-hydroxy-1'-methyl-2'-oxo-1-propa-1,2-dienylspiro[cyclopropane-2,3'-indole]-1-carboxylate with MolForge

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Related Compounds

diethyl (1S,2S)-1'-methyl-2'-oxospiro[cyclopropane-3,3'-indole]-1,2-dicarboxylate
CID 122193086
3-[3-(2-Carboxyethyl)-1-methyl-2-oxo-indolin-3-yl]propanoic acid
CID 11507570
3-[3-(2-Carboxyethyl)-1-ethyl-2-oxo-indolin-3-yl]propanoic acid
CID 11630877
3H-Indole-3,3-diacetic acid, 1,2-dihydro-1-methyl-2-oxo-, diethyl ester
CID 244860
ethyl (2'S,3R,4'S,5'S)-2'-ethyl-5-fluoro-5'-methyl-2-oxo-5',6'-dihydro-2'H,4'H-spiro[indoline-3,3'-pyran]-4'-carboxylate
CID 132561540
2-(3-Hydroxy-1-methyl-2-oxoindolin-3-yl) acetic acid
CID 68547730
diethyl (1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)propanedioate
CID 5304565
4-Oxo-2-(2-oxo-2,3-dihydro-1,3-dimethyl-1h-indole-3-yl)pentanoic acid methyl ester
CID 11471789
3,3-Bis(hydroxymethyl)-1-methylindolin-2-one
CID 15531988
Ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)acetate
CID 15833366
4-Oxo-2-(2-oxo-2,3-dihydro-1,3-dimethyl-1h-indole-3-yl)pentanoic acid ethyl ester
CID 23250583
tert-butyl (3S)-3-butyl-3-(hydroxymethyl)-2-oxoindole-1-carboxylate
CID 46867843

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-1'-methyl-2'-oxo-1-propa-1,2-dienylspiro[cyclopropane-2,3'-indole]-1-carboxylate?
The IUPAC name of methyl 3-hydroxy-1'-methyl-2'-oxo-1-propa-1,2-dienylspiro[cyclopropane-2,3'-indole]-1-carboxylate (CID 135012786) is methyl 3-hydroxy-1'-methyl-2'-oxo-1-propa-1,2-dienylspiro[cyclopropane-2,3'-indole]-1-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-1'-methyl-2'-oxo-1-propa-1,2-dienylspiro[cyclopropane-2,3'-indole]-1-carboxylate?
The canonical SMILES for methyl 3-hydroxy-1'-methyl-2'-oxo-1-propa-1,2-dienylspiro[cyclopropane-2,3'-indole]-1-carboxylate is C=C=CC1(C(=O)OC)C(O)C12C(=O)N(C)c1ccccc12.
What is the InChIKey of methyl 3-hydroxy-1'-methyl-2'-oxo-1-propa-1,2-dienylspiro[cyclopropane-2,3'-indole]-1-carboxylate?
The InChIKey is FYHKWBVRFGMLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-4-9-15(14(20)21-3)12(18)16(15)10-7-5-6-8-11(10)17(2)13(16)19/h5-9,12,18H,1H2,2-3H3.
What are the key properties of methyl 3-hydroxy-1'-methyl-2'-oxo-1-propa-1,2-dienylspiro[cyclopropane-2,3'-indole]-1-carboxylate?
methyl 3-hydroxy-1'-methyl-2'-oxo-1-propa-1,2-dienylspiro[cyclopropane-2,3'-indole]-1-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-1'-methyl-2'-oxo-1-propa-1,2-dienylspiro[cyclopropane-2,3'-indole]-1-carboxylate is sourced from PubChem (CID 135012786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).