5'-amino-1'-ethylspiro[cyclopropane-1,3'-indole]-2'-one

C12H14N2O — CID 84618269

IUPAC5'-amino-1'-ethylspiro[cyclopropane-1,3'-indole]-2'-one
SMILESCCN1C(=O)C2(CC2)c2cc(N)ccc21
InChIInChI=1S/C12H14N2O/c1-2-14-10-4-3-8(13)7-9(10)12(5-6-12)11(14)15/h3-4,7H,2,5-6,13H2,1H3
InChIKeyZLKPRYLCTLOXHP-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.67
Rot. Bonds1

About 5'-amino-1'-ethylspiro[cyclopropane-1,3'-indole]-2'-one

5'-amino-1'-ethylspiro[cyclopropane-1,3'-indole]-2'-one (PubChem CID 84618269) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 5'-amino-1'-ethylspiro[cyclopropane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name5'-amino-1'-ethylspiro[cyclopropane-1,3'-indole]-2'-one
PubChem CID84618269
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name5'-amino-1'-ethylspiro[cyclopropane-1,3'-indole]-2'-one
SMILESCCN1C(=O)C2(CC2)c2cc(N)ccc21
InChIInChI=1S/C12H14N2O/c1-2-14-10-4-3-8(13)7-9(10)12(5-6-12)11(14)15/h3-4,7H,2,5-6,13H2,1H3
InChIKeyZLKPRYLCTLOXHP-UHFFFAOYSA-N
XLogP1.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5'-amino-1'-ethylspiro[cyclopropane-1,3'-indole]-2'-one?
The IUPAC name of 5'-amino-1'-ethylspiro[cyclopropane-1,3'-indole]-2'-one (CID 84618269) is 5'-amino-1'-ethylspiro[cyclopropane-1,3'-indole]-2'-one.
What is the SMILES notation for 5'-amino-1'-ethylspiro[cyclopropane-1,3'-indole]-2'-one?
The canonical SMILES for 5'-amino-1'-ethylspiro[cyclopropane-1,3'-indole]-2'-one is CCN1C(=O)C2(CC2)c2cc(N)ccc21.
What is the InChIKey of 5'-amino-1'-ethylspiro[cyclopropane-1,3'-indole]-2'-one?
The InChIKey is ZLKPRYLCTLOXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-14-10-4-3-8(13)7-9(10)12(5-6-12)11(14)15/h3-4,7H,2,5-6,13H2,1H3.
What are the key properties of 5'-amino-1'-ethylspiro[cyclopropane-1,3'-indole]-2'-one?
5'-amino-1'-ethylspiro[cyclopropane-1,3'-indole]-2'-one has a molecular weight of 202.26 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-amino-1'-ethylspiro[cyclopropane-1,3'-indole]-2'-one is sourced from PubChem (CID 84618269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).