4H-carbazole-4-carbaldehyde;hydrochloride

C13H10ClNO — CID 174344799

IUPAC4H-carbazole-4-carbaldehyde;hydrochloride
SMILESCl.O=CC1C=CC=C2N=c3ccccc3=C21
InChIInChI=1S/C13H9NO.ClH/c15-8-9-4-3-7-12-13(9)10-5-1-2-6-11(10)14-12;/h1-9H;1H
InChIKeyBOWVGWRILCIXQC-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.16
Rot. Bonds1

About 4H-carbazole-4-carbaldehyde;hydrochloride

4H-carbazole-4-carbaldehyde;hydrochloride (PubChem CID 174344799) has the molecular formula C13H10ClNO and a molecular weight of 231.68 g/mol. Its IUPAC name is 4H-carbazole-4-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name4H-carbazole-4-carbaldehyde;hydrochloride
PubChem CID174344799
Molecular FormulaC13H10ClNO
Molecular Weight231.68 g/mol
Exact Mass231.05
IUPAC Name4H-carbazole-4-carbaldehyde;hydrochloride
SMILESCl.O=CC1C=CC=C2N=c3ccccc3=C21
InChIInChI=1S/C13H9NO.ClH/c15-8-9-4-3-7-12-13(9)10-5-1-2-6-11(10)14-12;/h1-9H;1H
InChIKeyBOWVGWRILCIXQC-UHFFFAOYSA-N
XLogP1.16
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.16
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 4H-carbazole-4-carbaldehyde;hydrochloride?
The IUPAC name of 4H-carbazole-4-carbaldehyde;hydrochloride (CID 174344799) is 4H-carbazole-4-carbaldehyde;hydrochloride.
What is the SMILES notation for 4H-carbazole-4-carbaldehyde;hydrochloride?
The canonical SMILES for 4H-carbazole-4-carbaldehyde;hydrochloride is Cl.O=CC1C=CC=C2N=c3ccccc3=C21.
What is the InChIKey of 4H-carbazole-4-carbaldehyde;hydrochloride?
The InChIKey is BOWVGWRILCIXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO.ClH/c15-8-9-4-3-7-12-13(9)10-5-1-2-6-11(10)14-12;/h1-9H;1H.
What are the key properties of 4H-carbazole-4-carbaldehyde;hydrochloride?
4H-carbazole-4-carbaldehyde;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-carbazole-4-carbaldehyde;hydrochloride is sourced from PubChem (CID 174344799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).