8-methoxy-9H-carbazole-3-carbaldehyde

C14H11NO2 — CID 53465568

IUPAC8-methoxy-9H-carbazole-3-carbaldehyde
SMILESCOc1cccc2c1[nH]c1ccc(C=O)cc12
InChIInChI=1S/C14H11NO2/c1-17-13-4-2-3-10-11-7-9(8-16)5-6-12(11)15-14(10)13/h2-8,15H,1H3
InChIKeyKSTPFEFAPRYLOZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.14
Rot. Bonds2

About 8-methoxy-9H-carbazole-3-carbaldehyde

8-methoxy-9H-carbazole-3-carbaldehyde (PubChem CID 53465568) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 8-methoxy-9H-carbazole-3-carbaldehyde.

Molecular Properties

Compound Name8-methoxy-9H-carbazole-3-carbaldehyde
PubChem CID53465568
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name8-methoxy-9H-carbazole-3-carbaldehyde
SMILESCOc1cccc2c1[nH]c1ccc(C=O)cc12
InChIInChI=1S/C14H11NO2/c1-17-13-4-2-3-10-11-7-9(8-16)5-6-12(11)15-14(10)13/h2-8,15H,1H3
InChIKeyKSTPFEFAPRYLOZ-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 8-methoxy-9H-carbazole-3-carbaldehyde?
The IUPAC name of 8-methoxy-9H-carbazole-3-carbaldehyde (CID 53465568) is 8-methoxy-9H-carbazole-3-carbaldehyde.
What is the SMILES notation for 8-methoxy-9H-carbazole-3-carbaldehyde?
The canonical SMILES for 8-methoxy-9H-carbazole-3-carbaldehyde is COc1cccc2c1[nH]c1ccc(C=O)cc12.
What is the InChIKey of 8-methoxy-9H-carbazole-3-carbaldehyde?
The InChIKey is KSTPFEFAPRYLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-17-13-4-2-3-10-11-7-9(8-16)5-6-12(11)15-14(10)13/h2-8,15H,1H3.
What are the key properties of 8-methoxy-9H-carbazole-3-carbaldehyde?
8-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 8-methoxy-9H-carbazole-3-carbaldehyde is sourced from PubChem (CID 53465568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).