5-chloro-2'-naphthalen-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one

C20H14ClNO — CID 71200943

IUPAC5-chloro-2'-naphthalen-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2C12CC2c1ccc2ccccc2c1
InChIInChI=1S/C20H14ClNO/c21-15-7-8-18-16(10-15)20(19(23)22-18)11-17(20)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,17H,11H2,(H,22,23)
InChIKeyXUVYCKBVXAXTDJ-UHFFFAOYSA-N
MW319.79 g/mol
LogP4.87
Rot. Bonds1

About 5-chloro-2'-naphthalen-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one

5-chloro-2'-naphthalen-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 71200943) has the molecular formula C20H14ClNO and a molecular weight of 319.79 g/mol. Its IUPAC name is 5-chloro-2'-naphthalen-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name5-chloro-2'-naphthalen-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID71200943
Molecular FormulaC20H14ClNO
Molecular Weight319.79 g/mol
Exact Mass319.08
IUPAC Name5-chloro-2'-naphthalen-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2C12CC2c1ccc2ccccc2c1
InChIInChI=1S/C20H14ClNO/c21-15-7-8-18-16(10-15)20(19(23)22-18)11-17(20)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,17H,11H2,(H,22,23)
InChIKeyXUVYCKBVXAXTDJ-UHFFFAOYSA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2'-naphthalen-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 5-chloro-2'-naphthalen-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one (CID 71200943) is 5-chloro-2'-naphthalen-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 5-chloro-2'-naphthalen-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 5-chloro-2'-naphthalen-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2ccc(Cl)cc2C12CC2c1ccc2ccccc2c1.
What is the InChIKey of 5-chloro-2'-naphthalen-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is XUVYCKBVXAXTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO/c21-15-7-8-18-16(10-15)20(19(23)22-18)11-17(20)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,17H,11H2,(H,22,23).
What are the key properties of 5-chloro-2'-naphthalen-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
5-chloro-2'-naphthalen-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 319.79 g/mol, XLogP of 4.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2'-naphthalen-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 71200943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).