1H-carbazole-2-carbaldehyde;hydron

C13H10NO+ — CID 174509738

IUPAC1H-carbazole-2-carbaldehyde;hydron
SMILESO=CC1=CC=C2C(=Nc3ccccc32)C1.[H+]
InChIInChI=1S/C13H9NO/c15-8-9-5-6-11-10-3-1-2-4-12(10)14-13(11)7-9/h1-6,8H,7H2/p+1
InChIKeySASYTGITVQWYHD-UHFFFAOYSA-O
MW196.23 g/mol
LogP2.80
Rot. Bonds1

About 1H-carbazole-2-carbaldehyde;hydron

1H-carbazole-2-carbaldehyde;hydron (PubChem CID 174509738) has the molecular formula C13H10NO+ and a molecular weight of 196.23 g/mol. Its IUPAC name is 1H-carbazole-2-carbaldehyde;hydron.

Molecular Properties

Compound Name1H-carbazole-2-carbaldehyde;hydron
PubChem CID174509738
Molecular FormulaC13H10NO+
Molecular Weight196.23 g/mol
Exact Mass196.08
IUPAC Name1H-carbazole-2-carbaldehyde;hydron
SMILESO=CC1=CC=C2C(=Nc3ccccc32)C1.[H+]
InChIInChI=1S/C13H9NO/c15-8-9-5-6-11-10-3-1-2-4-12(10)14-13(11)7-9/h1-6,8H,7H2/p+1
InChIKeySASYTGITVQWYHD-UHFFFAOYSA-O
XLogP2.80
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 52.80
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 1H-carbazole-2-carbaldehyde;hydron?
The IUPAC name of 1H-carbazole-2-carbaldehyde;hydron (CID 174509738) is 1H-carbazole-2-carbaldehyde;hydron.
What is the SMILES notation for 1H-carbazole-2-carbaldehyde;hydron?
The canonical SMILES for 1H-carbazole-2-carbaldehyde;hydron is O=CC1=CC=C2C(=Nc3ccccc32)C1.[H+].
What is the InChIKey of 1H-carbazole-2-carbaldehyde;hydron?
The InChIKey is SASYTGITVQWYHD-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H9NO/c15-8-9-5-6-11-10-3-1-2-4-12(10)14-13(11)7-9/h1-6,8H,7H2/p+1.
What are the key properties of 1H-carbazole-2-carbaldehyde;hydron?
1H-carbazole-2-carbaldehyde;hydron has a molecular weight of 196.23 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-carbazole-2-carbaldehyde;hydron is sourced from PubChem (CID 174509738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).