1'-ethyl-5'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylic acid

C14H15NO3 — CID 165483402

IUPAC1'-ethyl-5'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylic acid
SMILESCCN1C(=O)C2(CC2C(=O)O)c2cc(C)ccc21
InChIInChI=1S/C14H15NO3/c1-3-15-11-5-4-8(2)6-9(11)14(13(15)18)7-10(14)12(16)17/h4-6,10H,3,7H2,1-2H3,(H,16,17)
InChIKeyNFKBTFRBQBEKRW-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.70
Rot. Bonds2

About 1'-ethyl-5'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylic acid

1'-ethyl-5'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylic acid (PubChem CID 165483402) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1'-ethyl-5'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylic acid.

Molecular Properties

Compound Name1'-ethyl-5'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylic acid
PubChem CID165483402
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1'-ethyl-5'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylic acid
SMILESCCN1C(=O)C2(CC2C(=O)O)c2cc(C)ccc21
InChIInChI=1S/C14H15NO3/c1-3-15-11-5-4-8(2)6-9(11)14(13(15)18)7-10(14)12(16)17/h4-6,10H,3,7H2,1-2H3,(H,16,17)
InChIKeyNFKBTFRBQBEKRW-UHFFFAOYSA-N
XLogP1.70
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1'-ethyl-5'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-5'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylic acid?
The IUPAC name of 1'-ethyl-5'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylic acid (CID 165483402) is 1'-ethyl-5'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylic acid.
What is the SMILES notation for 1'-ethyl-5'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylic acid?
The canonical SMILES for 1'-ethyl-5'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylic acid is CCN1C(=O)C2(CC2C(=O)O)c2cc(C)ccc21.
What is the InChIKey of 1'-ethyl-5'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylic acid?
The InChIKey is NFKBTFRBQBEKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-15-11-5-4-8(2)6-9(11)14(13(15)18)7-10(14)12(16)17/h4-6,10H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 1'-ethyl-5'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylic acid?
1'-ethyl-5'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-5'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylic acid is sourced from PubChem (CID 165483402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).