6-methoxy-9H-carbazole-3-carbaldehyde

C14H11NO2 — CID 5278452

IUPAC6-methoxy-9H-carbazole-3-carbaldehyde
SMILESCOc1ccc2[nH]c3ccc(C=O)cc3c2c1
InChIInChI=1S/C14H11NO2/c1-17-10-3-5-14-12(7-10)11-6-9(8-16)2-4-13(11)15-14/h2-8,15H,1H3
InChIKeyMPGLRLBJCNRDKU-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.14
Rot. Bonds2

About 6-methoxy-9H-carbazole-3-carbaldehyde

6-methoxy-9H-carbazole-3-carbaldehyde (PubChem CID 5278452) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-methoxy-9H-carbazole-3-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-9H-carbazole-3-carbaldehyde
PubChem CID5278452
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name6-methoxy-9H-carbazole-3-carbaldehyde
SMILESCOc1ccc2[nH]c3ccc(C=O)cc3c2c1
InChIInChI=1S/C14H11NO2/c1-17-10-3-5-14-12(7-10)11-6-9(8-16)2-4-13(11)15-14/h2-8,15H,1H3
InChIKeyMPGLRLBJCNRDKU-UHFFFAOYSA-N
XLogP3.14
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
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 6-methoxy-9H-carbazole-3-carbaldehyde?
The IUPAC name of 6-methoxy-9H-carbazole-3-carbaldehyde (CID 5278452) is 6-methoxy-9H-carbazole-3-carbaldehyde.
What is the SMILES notation for 6-methoxy-9H-carbazole-3-carbaldehyde?
The canonical SMILES for 6-methoxy-9H-carbazole-3-carbaldehyde is COc1ccc2[nH]c3ccc(C=O)cc3c2c1.
What is the InChIKey of 6-methoxy-9H-carbazole-3-carbaldehyde?
The InChIKey is MPGLRLBJCNRDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-17-10-3-5-14-12(7-10)11-6-9(8-16)2-4-13(11)15-14/h2-8,15H,1H3.
What are the key properties of 6-methoxy-9H-carbazole-3-carbaldehyde?
6-methoxy-9H-carbazole-3-carbaldehyde has a molecular weight of 225.25 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9H-carbazole-3-carbaldehyde is sourced from PubChem (CID 5278452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).