9-ethyl-7,8-dihydrocarbazole-3-carbaldehyde

C15H15NO — CID 89199923

IUPAC9-ethyl-7,8-dihydrocarbazole-3-carbaldehyde
SMILESCCn1c2c(c3cc(C=O)ccc31)C=CCC2
InChIInChI=1S/C15H15NO/c1-2-16-14-6-4-3-5-12(14)13-9-11(10-17)7-8-15(13)16/h3,5,7-10H,2,4,6H2,1H3
InChIKeyAAFDZCUYXUFPIA-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.43
Rot. Bonds2

About 9-ethyl-7,8-dihydrocarbazole-3-carbaldehyde

9-ethyl-7,8-dihydrocarbazole-3-carbaldehyde (PubChem CID 89199923) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 9-ethyl-7,8-dihydrocarbazole-3-carbaldehyde.

Molecular Properties

Compound Name9-ethyl-7,8-dihydrocarbazole-3-carbaldehyde
PubChem CID89199923
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name9-ethyl-7,8-dihydrocarbazole-3-carbaldehyde
SMILESCCn1c2c(c3cc(C=O)ccc31)C=CCC2
InChIInChI=1S/C15H15NO/c1-2-16-14-6-4-3-5-12(14)13-9-11(10-17)7-8-15(13)16/h3,5,7-10H,2,4,6H2,1H3
InChIKeyAAFDZCUYXUFPIA-UHFFFAOYSA-N
XLogP3.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.43
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-ethyl-7,8-dihydrocarbazole-3-carbaldehyde?
The IUPAC name of 9-ethyl-7,8-dihydrocarbazole-3-carbaldehyde (CID 89199923) is 9-ethyl-7,8-dihydrocarbazole-3-carbaldehyde.
What is the SMILES notation for 9-ethyl-7,8-dihydrocarbazole-3-carbaldehyde?
The canonical SMILES for 9-ethyl-7,8-dihydrocarbazole-3-carbaldehyde is CCn1c2c(c3cc(C=O)ccc31)C=CCC2.
What is the InChIKey of 9-ethyl-7,8-dihydrocarbazole-3-carbaldehyde?
The InChIKey is AAFDZCUYXUFPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-2-16-14-6-4-3-5-12(14)13-9-11(10-17)7-8-15(13)16/h3,5,7-10H,2,4,6H2,1H3.
What are the key properties of 9-ethyl-7,8-dihydrocarbazole-3-carbaldehyde?
9-ethyl-7,8-dihydrocarbazole-3-carbaldehyde has a molecular weight of 225.29 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-7,8-dihydrocarbazole-3-carbaldehyde is sourced from PubChem (CID 89199923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).