2-carbazol-9-ylpropanedial

C15H11NO2 — CID 174831236

IUPAC2-carbazol-9-ylpropanedial
SMILESO=CC(C=O)n1c2ccccc2c2ccccc21
InChIInChI=1S/C15H11NO2/c17-9-11(10-18)16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-11H
InChIKeyIXXYCKZEWIBMBR-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.73
Rot. Bonds3

About 2-carbazol-9-ylpropanedial

2-carbazol-9-ylpropanedial (PubChem CID 174831236) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-carbazol-9-ylpropanedial.

Molecular Properties

Compound Name2-carbazol-9-ylpropanedial
PubChem CID174831236
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name2-carbazol-9-ylpropanedial
SMILESO=CC(C=O)n1c2ccccc2c2ccccc21
InChIInChI=1S/C15H11NO2/c17-9-11(10-18)16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-11H
InChIKeyIXXYCKZEWIBMBR-UHFFFAOYSA-N
XLogP2.73
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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3-fluoro-2-methyl-1-propan-2-ylindole
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N-[carbazol-9-yl(methylamino)methyl]hydroxylamine
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ethane;(2Z,4Z)-hexa-2,4-diene;9-propan-2-ylcarbazole
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9-(1-phenylethyl)carbazole
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3-iodo-2-methyl-1-propan-2-ylquinolin-4-one
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10-carbazol-9-ylanthracene-9-carbaldehyde
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methyl 2-methyl-1-[(2R)-1-oxopropan-2-yl]indole-3-carboxylate
CID 142590019
9-propan-2-yl-2-(9-propan-2-ylcarbazol-2-yl)carbazole
CID 170205010
9-(2,5-dimethylhexan-3-yl)carbazole
CID 123957864
9-(1-bromooctyl)carbazole
CID 174909531
2-carbazol-9-yl-N-phenyl-2-phenylsulfanylacetamide
CID 3849054

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-ylpropanedial?
The IUPAC name of 2-carbazol-9-ylpropanedial (CID 174831236) is 2-carbazol-9-ylpropanedial.
What is the SMILES notation for 2-carbazol-9-ylpropanedial?
The canonical SMILES for 2-carbazol-9-ylpropanedial is O=CC(C=O)n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-ylpropanedial?
The InChIKey is IXXYCKZEWIBMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c17-9-11(10-18)16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-11H.
What are the key properties of 2-carbazol-9-ylpropanedial?
2-carbazol-9-ylpropanedial has a molecular weight of 237.26 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-ylpropanedial is sourced from PubChem (CID 174831236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).