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

C12H13NO — CID 12701939

IUPAC1'-ethylspiro[cyclopropane-1,2'-indole]-3'-one
SMILESCCN1c2ccccc2C(=O)C12CC2
InChIInChI=1S/C12H13NO/c1-2-13-10-6-4-3-5-9(10)11(14)12(13)7-8-12/h3-6H,2,7-8H2,1H3
InChIKeyCXIKJEZDJWVDBV-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.24
Rot. Bonds1

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

1'-ethylspiro[cyclopropane-1,2'-indole]-3'-one (PubChem CID 12701939) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1'-ethylspiro[cyclopropane-1,2'-indole]-3'-one.

Molecular Properties

Compound Name1'-ethylspiro[cyclopropane-1,2'-indole]-3'-one
PubChem CID12701939
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1'-ethylspiro[cyclopropane-1,2'-indole]-3'-one
SMILESCCN1c2ccccc2C(=O)C12CC2
InChIInChI=1S/C12H13NO/c1-2-13-10-6-4-3-5-9(10)11(14)12(13)7-8-12/h3-6H,2,7-8H2,1H3
InChIKeyCXIKJEZDJWVDBV-UHFFFAOYSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-ethylspiro[cyclopropane-1,2'-indole]-3'-one?
The IUPAC name of 1'-ethylspiro[cyclopropane-1,2'-indole]-3'-one (CID 12701939) is 1'-ethylspiro[cyclopropane-1,2'-indole]-3'-one.
What is the SMILES notation for 1'-ethylspiro[cyclopropane-1,2'-indole]-3'-one?
The canonical SMILES for 1'-ethylspiro[cyclopropane-1,2'-indole]-3'-one is CCN1c2ccccc2C(=O)C12CC2.
What is the InChIKey of 1'-ethylspiro[cyclopropane-1,2'-indole]-3'-one?
The InChIKey is CXIKJEZDJWVDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-13-10-6-4-3-5-9(10)11(14)12(13)7-8-12/h3-6H,2,7-8H2,1H3.
What are the key properties of 1'-ethylspiro[cyclopropane-1,2'-indole]-3'-one?
1'-ethylspiro[cyclopropane-1,2'-indole]-3'-one has a molecular weight of 187.24 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethylspiro[cyclopropane-1,2'-indole]-3'-one is sourced from PubChem (CID 12701939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).