2-[(5-methoxy-1H-indol-3-yl)methyl]-1H-indole-3-carbaldehyde

C19H16N2O2 — CID 118709592

IUPAC2-[(5-methoxy-1H-indol-3-yl)methyl]-1H-indole-3-carbaldehyde
SMILESCOc1ccc2[nH]cc(Cc3[nH]c4ccccc4c3C=O)c2c1
InChIInChI=1S/C19H16N2O2/c1-23-13-6-7-17-15(9-13)12(10-20-17)8-19-16(11-22)14-4-2-3-5-18(14)21-19/h2-7,9-11,20-21H,8H2,1H3
InChIKeyYSCCCRCXQOQKCP-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.06
Rot. Bonds4

About 2-[(5-methoxy-1H-indol-3-yl)methyl]-1H-indole-3-carbaldehyde

2-[(5-methoxy-1H-indol-3-yl)methyl]-1H-indole-3-carbaldehyde (PubChem CID 118709592) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[(5-methoxy-1H-indol-3-yl)methyl]-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-[(5-methoxy-1H-indol-3-yl)methyl]-1H-indole-3-carbaldehyde
PubChem CID118709592
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name2-[(5-methoxy-1H-indol-3-yl)methyl]-1H-indole-3-carbaldehyde
SMILESCOc1ccc2[nH]cc(Cc3[nH]c4ccccc4c3C=O)c2c1
InChIInChI=1S/C19H16N2O2/c1-23-13-6-7-17-15(9-13)12(10-20-17)8-19-16(11-22)14-4-2-3-5-18(14)21-19/h2-7,9-11,20-21H,8H2,1H3
InChIKeyYSCCCRCXQOQKCP-UHFFFAOYSA-N
XLogP4.06
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-1H-indol-3-yl)methyl]-1H-indole-3-carbaldehyde?
The IUPAC name of 2-[(5-methoxy-1H-indol-3-yl)methyl]-1H-indole-3-carbaldehyde (CID 118709592) is 2-[(5-methoxy-1H-indol-3-yl)methyl]-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-[(5-methoxy-1H-indol-3-yl)methyl]-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-[(5-methoxy-1H-indol-3-yl)methyl]-1H-indole-3-carbaldehyde is COc1ccc2[nH]cc(Cc3[nH]c4ccccc4c3C=O)c2c1.
What is the InChIKey of 2-[(5-methoxy-1H-indol-3-yl)methyl]-1H-indole-3-carbaldehyde?
The InChIKey is YSCCCRCXQOQKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-23-13-6-7-17-15(9-13)12(10-20-17)8-19-16(11-22)14-4-2-3-5-18(14)21-19/h2-7,9-11,20-21H,8H2,1H3.
What are the key properties of 2-[(5-methoxy-1H-indol-3-yl)methyl]-1H-indole-3-carbaldehyde?
2-[(5-methoxy-1H-indol-3-yl)methyl]-1H-indole-3-carbaldehyde has a molecular weight of 304.35 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-1H-indol-3-yl)methyl]-1H-indole-3-carbaldehyde is sourced from PubChem (CID 118709592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).