9-propan-2-ylcarbazole-3-carbaldehyde

C16H15NO — CID 16762077

IUPAC9-propan-2-ylcarbazole-3-carbaldehyde
SMILESCC(C)n1c2ccccc2c2cc(C=O)ccc21
InChIInChI=1S/C16H15NO/c1-11(2)17-15-6-4-3-5-13(15)14-9-12(10-18)7-8-16(14)17/h3-11H,1-2H3
InChIKeySXXXISXCAUYTLT-UHFFFAOYSA-N
MW237.30 g/mol
LogP4.19
Rot. Bonds2

About 9-propan-2-ylcarbazole-3-carbaldehyde

9-propan-2-ylcarbazole-3-carbaldehyde (PubChem CID 16762077) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 9-propan-2-ylcarbazole-3-carbaldehyde.

Molecular Properties

Compound Name9-propan-2-ylcarbazole-3-carbaldehyde
PubChem CID16762077
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name9-propan-2-ylcarbazole-3-carbaldehyde
SMILESCC(C)n1c2ccccc2c2cc(C=O)ccc21
InChIInChI=1S/C16H15NO/c1-11(2)17-15-6-4-3-5-13(15)14-9-12(10-18)7-8-16(14)17/h3-11H,1-2H3
InChIKeySXXXISXCAUYTLT-UHFFFAOYSA-N
XLogP4.19
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 54.19
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-propan-2-ylcarbazole-3-carbaldehyde?
The IUPAC name of 9-propan-2-ylcarbazole-3-carbaldehyde (CID 16762077) is 9-propan-2-ylcarbazole-3-carbaldehyde.
What is the SMILES notation for 9-propan-2-ylcarbazole-3-carbaldehyde?
The canonical SMILES for 9-propan-2-ylcarbazole-3-carbaldehyde is CC(C)n1c2ccccc2c2cc(C=O)ccc21.
What is the InChIKey of 9-propan-2-ylcarbazole-3-carbaldehyde?
The InChIKey is SXXXISXCAUYTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-11(2)17-15-6-4-3-5-13(15)14-9-12(10-18)7-8-16(14)17/h3-11H,1-2H3.
What are the key properties of 9-propan-2-ylcarbazole-3-carbaldehyde?
9-propan-2-ylcarbazole-3-carbaldehyde has a molecular weight of 237.30 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-ylcarbazole-3-carbaldehyde is sourced from PubChem (CID 16762077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).