4,5,6,7-tetrahydro-1H-indole-2-carbaldehyde

C9H11NO — CID 6502010

IUPAC4,5,6,7-tetrahydro-1H-indole-2-carbaldehyde
SMILESO=Cc1cc2c([nH]1)CCCC2
InChIInChI=1S/C9H11NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h5-6,10H,1-4H2
InChIKeyOORNVNMZVOJKQR-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.71
Rot. Bonds1

About 4,5,6,7-tetrahydro-1H-indole-2-carbaldehyde

4,5,6,7-tetrahydro-1H-indole-2-carbaldehyde (PubChem CID 6502010) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-indole-2-carbaldehyde
PubChem CID6502010
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name4,5,6,7-tetrahydro-1H-indole-2-carbaldehyde
SMILESO=Cc1cc2c([nH]1)CCCC2
InChIInChI=1S/C9H11NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h5-6,10H,1-4H2
InChIKeyOORNVNMZVOJKQR-UHFFFAOYSA-N
XLogP1.71
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-Formyl-2-methylindole
CID 73166
Carbazole-3-carboxaldehyde
CID 504067
Indole-2-carboxaldehyde
CID 96389
2,3,4,9-tetrahydro-1H-carbazol-1-one
CID 285865
N-Phenyl-1H-indole-2-carboxamide
CID 589138
3-Chloro-1H-indole-2-carbaldehyde
CID 778247
5-Methyl-2-formylpyrrole
CID 14508
1H-Indole-2-carboxamide
CID 594832
2,5-Diphenyl-1H-pyrrole-3-carbaldehyde
CID 619021
2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CID 227177
1-Methylindole-2-carboxaldehyde
CID 267164
5-Phenyl-1H-pyrrole-2-carbaldehyde
CID 598782

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1H-indole-2-carbaldehyde?
The IUPAC name of 4,5,6,7-tetrahydro-1H-indole-2-carbaldehyde (CID 6502010) is 4,5,6,7-tetrahydro-1H-indole-2-carbaldehyde.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-indole-2-carbaldehyde?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-indole-2-carbaldehyde is O=Cc1cc2c([nH]1)CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-indole-2-carbaldehyde?
The InChIKey is OORNVNMZVOJKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h5-6,10H,1-4H2.
What are the key properties of 4,5,6,7-tetrahydro-1H-indole-2-carbaldehyde?
4,5,6,7-tetrahydro-1H-indole-2-carbaldehyde has a molecular weight of 149.19 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1H-indole-2-carbaldehyde is sourced from PubChem (CID 6502010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).