1-(3-ethenylphenyl)-2-oxobenzo[cd]indole-7-carbaldehyde

C20H13NO2 — CID 58320746

IUPAC1-(3-ethenylphenyl)-2-oxobenzo[cd]indole-7-carbaldehyde
SMILESC=Cc1cccc(N2C(=O)c3cccc4cc(C=O)cc2c34)c1
InChIInChI=1S/C20H13NO2/c1-2-13-5-3-7-16(10-13)21-18-11-14(12-22)9-15-6-4-8-17(19(15)18)20(21)23/h2-12H,1H2
InChIKeyROZDDXBRWDCJTL-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.59
Rot. Bonds3

About 1-(3-ethenylphenyl)-2-oxobenzo[cd]indole-7-carbaldehyde

1-(3-ethenylphenyl)-2-oxobenzo[cd]indole-7-carbaldehyde (PubChem CID 58320746) has the molecular formula C20H13NO2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-(3-ethenylphenyl)-2-oxobenzo[cd]indole-7-carbaldehyde.

Molecular Properties

Compound Name1-(3-ethenylphenyl)-2-oxobenzo[cd]indole-7-carbaldehyde
PubChem CID58320746
Molecular FormulaC20H13NO2
Molecular Weight299.33 g/mol
Exact Mass299.09
IUPAC Name1-(3-ethenylphenyl)-2-oxobenzo[cd]indole-7-carbaldehyde
SMILESC=Cc1cccc(N2C(=O)c3cccc4cc(C=O)cc2c34)c1
InChIInChI=1S/C20H13NO2/c1-2-13-5-3-7-16(10-13)21-18-11-14(12-22)9-15-6-4-8-17(19(15)18)20(21)23/h2-12H,1H2
InChIKeyROZDDXBRWDCJTL-UHFFFAOYSA-N
XLogP4.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.59
H-Bond Donors ≤ 50
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 1-(3-ethenylphenyl)-2-oxobenzo[cd]indole-7-carbaldehyde?
The IUPAC name of 1-(3-ethenylphenyl)-2-oxobenzo[cd]indole-7-carbaldehyde (CID 58320746) is 1-(3-ethenylphenyl)-2-oxobenzo[cd]indole-7-carbaldehyde.
What is the SMILES notation for 1-(3-ethenylphenyl)-2-oxobenzo[cd]indole-7-carbaldehyde?
The canonical SMILES for 1-(3-ethenylphenyl)-2-oxobenzo[cd]indole-7-carbaldehyde is C=Cc1cccc(N2C(=O)c3cccc4cc(C=O)cc2c34)c1.
What is the InChIKey of 1-(3-ethenylphenyl)-2-oxobenzo[cd]indole-7-carbaldehyde?
The InChIKey is ROZDDXBRWDCJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO2/c1-2-13-5-3-7-16(10-13)21-18-11-14(12-22)9-15-6-4-8-17(19(15)18)20(21)23/h2-12H,1H2.
What are the key properties of 1-(3-ethenylphenyl)-2-oxobenzo[cd]indole-7-carbaldehyde?
1-(3-ethenylphenyl)-2-oxobenzo[cd]indole-7-carbaldehyde has a molecular weight of 299.33 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethenylphenyl)-2-oxobenzo[cd]indole-7-carbaldehyde is sourced from PubChem (CID 58320746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).