1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde

C20H19NO2 — CID 2847629

IUPAC1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1cc(C=O)ccc1O2
InChIInChI=1S/C20H19NO2/c1-19(2)16-6-4-5-7-17(16)21(3)20(19)11-10-15-12-14(13-22)8-9-18(15)23-20/h4-13H,1-3H3
InChIKeyVTYYJHDETHHNEN-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.03
Rot. Bonds1

About 1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde

1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde (PubChem CID 2847629) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde.

Molecular Properties

Compound Name1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde
PubChem CID2847629
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1cc(C=O)ccc1O2
InChIInChI=1S/C20H19NO2/c1-19(2)16-6-4-5-7-17(16)21(3)20(19)11-10-15-12-14(13-22)8-9-18(15)23-20/h4-13H,1-3H3
InChIKeyVTYYJHDETHHNEN-UHFFFAOYSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde?
The IUPAC name of 1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde (CID 2847629) is 1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde.
What is the SMILES notation for 1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde?
The canonical SMILES for 1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde is CN1c2ccccc2C(C)(C)C12C=Cc1cc(C=O)ccc1O2.
What is the InChIKey of 1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde?
The InChIKey is VTYYJHDETHHNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-19(2)16-6-4-5-7-17(16)21(3)20(19)11-10-15-12-14(13-22)8-9-18(15)23-20/h4-13H,1-3H3.
What are the key properties of 1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde?
1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde has a molecular weight of 305.38 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde is sourced from PubChem (CID 2847629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).