methyl 1'-methyl-2'-oxo-4-phenylspiro[cyclopenta-1,3-diene-5,3'-indole]-1-carboxylate

C21H17NO3 — CID 134845126

IUPACmethyl 1'-methyl-2'-oxo-4-phenylspiro[cyclopenta-1,3-diene-5,3'-indole]-1-carboxylate
SMILESCOC(=O)C1=CC=C(c2ccccc2)C12C(=O)N(C)c1ccccc12
InChIInChI=1S/C21H17NO3/c1-22-18-11-7-6-10-16(18)21(20(22)24)15(14-8-4-3-5-9-14)12-13-17(21)19(23)25-2/h3-13H,1-2H3
InChIKeyGCUGEHNRNSJTFW-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.10
Rot. Bonds2

About methyl 1'-methyl-2'-oxo-4-phenylspiro[cyclopenta-1,3-diene-5,3'-indole]-1-carboxylate

methyl 1'-methyl-2'-oxo-4-phenylspiro[cyclopenta-1,3-diene-5,3'-indole]-1-carboxylate (PubChem CID 134845126) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is methyl 1'-methyl-2'-oxo-4-phenylspiro[cyclopenta-1,3-diene-5,3'-indole]-1-carboxylate.

Molecular Properties

Compound Namemethyl 1'-methyl-2'-oxo-4-phenylspiro[cyclopenta-1,3-diene-5,3'-indole]-1-carboxylate
PubChem CID134845126
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Namemethyl 1'-methyl-2'-oxo-4-phenylspiro[cyclopenta-1,3-diene-5,3'-indole]-1-carboxylate
SMILESCOC(=O)C1=CC=C(c2ccccc2)C12C(=O)N(C)c1ccccc12
InChIInChI=1S/C21H17NO3/c1-22-18-11-7-6-10-16(18)21(20(22)24)15(14-8-4-3-5-9-14)12-13-17(21)19(23)25-2/h3-13H,1-2H3
InChIKeyGCUGEHNRNSJTFW-UHFFFAOYSA-N
XLogP3.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1'-methyl-2'-oxo-4-phenylspiro[cyclopenta-1,3-diene-5,3'-indole]-1-carboxylate?
The IUPAC name of methyl 1'-methyl-2'-oxo-4-phenylspiro[cyclopenta-1,3-diene-5,3'-indole]-1-carboxylate (CID 134845126) is methyl 1'-methyl-2'-oxo-4-phenylspiro[cyclopenta-1,3-diene-5,3'-indole]-1-carboxylate.
What is the SMILES notation for methyl 1'-methyl-2'-oxo-4-phenylspiro[cyclopenta-1,3-diene-5,3'-indole]-1-carboxylate?
The canonical SMILES for methyl 1'-methyl-2'-oxo-4-phenylspiro[cyclopenta-1,3-diene-5,3'-indole]-1-carboxylate is COC(=O)C1=CC=C(c2ccccc2)C12C(=O)N(C)c1ccccc12.
What is the InChIKey of methyl 1'-methyl-2'-oxo-4-phenylspiro[cyclopenta-1,3-diene-5,3'-indole]-1-carboxylate?
The InChIKey is GCUGEHNRNSJTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-22-18-11-7-6-10-16(18)21(20(22)24)15(14-8-4-3-5-9-14)12-13-17(21)19(23)25-2/h3-13H,1-2H3.
What are the key properties of methyl 1'-methyl-2'-oxo-4-phenylspiro[cyclopenta-1,3-diene-5,3'-indole]-1-carboxylate?
methyl 1'-methyl-2'-oxo-4-phenylspiro[cyclopenta-1,3-diene-5,3'-indole]-1-carboxylate has a molecular weight of 331.37 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1'-methyl-2'-oxo-4-phenylspiro[cyclopenta-1,3-diene-5,3'-indole]-1-carboxylate is sourced from PubChem (CID 134845126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).