9-methylcarbazole-3-carbaldehyde

C14H11NO — CID 610666

IUPAC9-methylcarbazole-3-carbaldehyde
SMILESCn1c2ccccc2c2cc(C=O)ccc21
InChIInChI=1S/C14H11NO/c1-15-13-5-3-2-4-11(13)12-8-10(9-16)6-7-14(12)15/h2-9H,1H3
InChIKeyPNTJHESWOJBCRP-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.14
Rot. Bonds1

About 9-methylcarbazole-3-carbaldehyde

9-methylcarbazole-3-carbaldehyde (PubChem CID 610666) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 9-methylcarbazole-3-carbaldehyde.

Molecular Properties

Compound Name9-methylcarbazole-3-carbaldehyde
PubChem CID610666
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name9-methylcarbazole-3-carbaldehyde
SMILESCn1c2ccccc2c2cc(C=O)ccc21
InChIInChI=1S/C14H11NO/c1-15-13-5-3-2-4-11(13)12-8-10(9-16)6-7-14(12)15/h2-9H,1H3
InChIKeyPNTJHESWOJBCRP-UHFFFAOYSA-N
XLogP3.14
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.14
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 9-methylcarbazole-3-carbaldehyde?
The IUPAC name of 9-methylcarbazole-3-carbaldehyde (CID 610666) is 9-methylcarbazole-3-carbaldehyde.
What is the SMILES notation for 9-methylcarbazole-3-carbaldehyde?
The canonical SMILES for 9-methylcarbazole-3-carbaldehyde is Cn1c2ccccc2c2cc(C=O)ccc21.
What is the InChIKey of 9-methylcarbazole-3-carbaldehyde?
The InChIKey is PNTJHESWOJBCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-15-13-5-3-2-4-11(13)12-8-10(9-16)6-7-14(12)15/h2-9H,1H3.
What are the key properties of 9-methylcarbazole-3-carbaldehyde?
9-methylcarbazole-3-carbaldehyde has a molecular weight of 209.25 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylcarbazole-3-carbaldehyde is sourced from PubChem (CID 610666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).