2-(3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)acetamide

C20H20N2O2 — CID 3347797

IUPAC2-(3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)acetamide
SMILESCC1(C)c2ccccc2N(CC(N)=O)C12C=Cc1ccccc1O2
InChIInChI=1S/C20H20N2O2/c1-19(2)15-8-4-5-9-16(15)22(13-18(21)23)20(19)12-11-14-7-3-6-10-17(14)24-20/h3-12H,13H2,1-2H3,(H2,21,23)
InChIKeyMIUAWLSDZITJFD-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.07
Rot. Bonds2

About 2-(3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)acetamide

2-(3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)acetamide (PubChem CID 3347797) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)acetamide.

Molecular Properties

Compound Name2-(3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)acetamide
PubChem CID3347797
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-(3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)acetamide
SMILESCC1(C)c2ccccc2N(CC(N)=O)C12C=Cc1ccccc1O2
InChIInChI=1S/C20H20N2O2/c1-19(2)15-8-4-5-9-16(15)22(13-18(21)23)20(19)12-11-14-7-3-6-10-17(14)24-20/h3-12H,13H2,1-2H3,(H2,21,23)
InChIKeyMIUAWLSDZITJFD-UHFFFAOYSA-N
XLogP3.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)acetamide?
The IUPAC name of 2-(3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)acetamide (CID 3347797) is 2-(3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)acetamide.
What is the SMILES notation for 2-(3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)acetamide?
The canonical SMILES for 2-(3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)acetamide is CC1(C)c2ccccc2N(CC(N)=O)C12C=Cc1ccccc1O2.
What is the InChIKey of 2-(3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)acetamide?
The InChIKey is MIUAWLSDZITJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-19(2)15-8-4-5-9-16(15)22(13-18(21)23)20(19)12-11-14-7-3-6-10-17(14)24-20/h3-12H,13H2,1-2H3,(H2,21,23).
What are the key properties of 2-(3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)acetamide?
2-(3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)acetamide has a molecular weight of 320.39 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)acetamide is sourced from PubChem (CID 3347797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).