1,2,3,4-tetrahydrocarbazole-9-carbaldehyde

C13H13NO — CID 12710330

IUPAC1,2,3,4-tetrahydrocarbazole-9-carbaldehyde
SMILESO=Cn1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C13H13NO/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1,3,5,7,9H,2,4,6,8H2
InChIKeyUTEHVQDSQSYATJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.56
Rot. Bonds1

About 1,2,3,4-tetrahydrocarbazole-9-carbaldehyde

1,2,3,4-tetrahydrocarbazole-9-carbaldehyde (PubChem CID 12710330) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 1,2,3,4-tetrahydrocarbazole-9-carbaldehyde.

Molecular Properties

Compound Name1,2,3,4-tetrahydrocarbazole-9-carbaldehyde
PubChem CID12710330
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name1,2,3,4-tetrahydrocarbazole-9-carbaldehyde
SMILESO=Cn1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C13H13NO/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1,3,5,7,9H,2,4,6,8H2
InChIKeyUTEHVQDSQSYATJ-UHFFFAOYSA-N
XLogP2.56
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.56
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 1,2,3,4-tetrahydrocarbazole-9-carbaldehyde?
The IUPAC name of 1,2,3,4-tetrahydrocarbazole-9-carbaldehyde (CID 12710330) is 1,2,3,4-tetrahydrocarbazole-9-carbaldehyde.
What is the SMILES notation for 1,2,3,4-tetrahydrocarbazole-9-carbaldehyde?
The canonical SMILES for 1,2,3,4-tetrahydrocarbazole-9-carbaldehyde is O=Cn1c2c(c3ccccc31)CCCC2.
What is the InChIKey of 1,2,3,4-tetrahydrocarbazole-9-carbaldehyde?
The InChIKey is UTEHVQDSQSYATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1,3,5,7,9H,2,4,6,8H2.
What are the key properties of 1,2,3,4-tetrahydrocarbazole-9-carbaldehyde?
1,2,3,4-tetrahydrocarbazole-9-carbaldehyde has a molecular weight of 199.25 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydrocarbazole-9-carbaldehyde is sourced from PubChem (CID 12710330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).