2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-prop-2-enylacetamide

C27H26N2O2 — CID 3803803

IUPAC2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1c2ccccc2C(C)(C)C12C=Cc1c(ccc3ccccc13)O2
InChIInChI=1S/C27H26N2O2/c1-4-17-28-25(30)18-29-23-12-8-7-11-22(23)26(2,3)27(29)16-15-21-20-10-6-5-9-19(20)13-14-24(21)31-27/h4-16H,1,17-18H2,2-3H3,(H,28,30)
InChIKeyNAQZXFPRTQDZLT-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.04
Rot. Bonds4

About 2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-prop-2-enylacetamide

2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-prop-2-enylacetamide (PubChem CID 3803803) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-prop-2-enylacetamide
PubChem CID3803803
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1c2ccccc2C(C)(C)C12C=Cc1c(ccc3ccccc13)O2
InChIInChI=1S/C27H26N2O2/c1-4-17-28-25(30)18-29-23-12-8-7-11-22(23)26(2,3)27(29)16-15-21-20-10-6-5-9-19(20)13-14-24(21)31-27/h4-16H,1,17-18H2,2-3H3,(H,28,30)
InChIKeyNAQZXFPRTQDZLT-UHFFFAOYSA-N
XLogP5.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-prop-2-enylacetamide (CID 3803803) is 2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-prop-2-enylacetamide is C=CCNC(=O)CN1c2ccccc2C(C)(C)C12C=Cc1c(ccc3ccccc13)O2.
What is the InChIKey of 2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-prop-2-enylacetamide?
The InChIKey is NAQZXFPRTQDZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-4-17-28-25(30)18-29-23-12-8-7-11-22(23)26(2,3)27(29)16-15-21-20-10-6-5-9-19(20)13-14-24(21)31-27/h4-16H,1,17-18H2,2-3H3,(H,28,30).
What are the key properties of 2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-prop-2-enylacetamide?
2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-prop-2-enylacetamide has a molecular weight of 410.52 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 3803803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).