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

C21H21NO3 — CID 2881355

IUPAC8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde
SMILESCOc1cc(C=O)cc2c1OC1(C=C2)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C21H21NO3/c1-20(2)16-7-5-6-8-17(16)22(3)21(20)10-9-15-11-14(13-23)12-18(24-4)19(15)25-21/h5-13H,1-4H3
InChIKeySOSWXHDRHCWCDK-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.04
Rot. Bonds2

About 8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde

8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde (PubChem CID 2881355) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde.

Molecular Properties

Compound Name8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde
PubChem CID2881355
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde
SMILESCOc1cc(C=O)cc2c1OC1(C=C2)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C21H21NO3/c1-20(2)16-7-5-6-8-17(16)22(3)21(20)10-9-15-11-14(13-23)12-18(24-4)19(15)25-21/h5-13H,1-4H3
InChIKeySOSWXHDRHCWCDK-UHFFFAOYSA-N
XLogP4.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde?
The IUPAC name of 8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde (CID 2881355) is 8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde.
What is the SMILES notation for 8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde?
The canonical SMILES for 8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde is COc1cc(C=O)cc2c1OC1(C=C2)N(C)c2ccccc2C1(C)C.
What is the InChIKey of 8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde?
The InChIKey is SOSWXHDRHCWCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-20(2)16-7-5-6-8-17(16)22(3)21(20)10-9-15-11-14(13-23)12-18(24-4)19(15)25-21/h5-13H,1-4H3.
What are the key properties of 8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde?
8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde has a molecular weight of 335.40 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde is sourced from PubChem (CID 2881355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).