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

C10H13NO — CID 142750657

IUPAC2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carbaldehyde
SMILESCc1cc2c([nH]1)CCCC2C=O
InChIInChI=1S/C10H13NO/c1-7-5-9-8(6-12)3-2-4-10(9)11-7/h5-6,8,11H,2-4H2,1H3
InChIKeyQXHWLFAQJGIJRL-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.94
Rot. Bonds1

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

2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carbaldehyde (PubChem CID 142750657) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carbaldehyde.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carbaldehyde
PubChem CID142750657
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carbaldehyde
SMILESCc1cc2c([nH]1)CCCC2C=O
InChIInChI=1S/C10H13NO/c1-7-5-9-8(6-12)3-2-4-10(9)11-7/h5-6,8,11H,2-4H2,1H3
InChIKeyQXHWLFAQJGIJRL-UHFFFAOYSA-N
XLogP1.94
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carbaldehyde?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carbaldehyde (CID 142750657) is 2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carbaldehyde.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carbaldehyde?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carbaldehyde is Cc1cc2c([nH]1)CCCC2C=O.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carbaldehyde?
The InChIKey is QXHWLFAQJGIJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-5-9-8(6-12)3-2-4-10(9)11-7/h5-6,8,11H,2-4H2,1H3.
What are the key properties of 2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carbaldehyde?
2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carbaldehyde has a molecular weight of 163.22 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carbaldehyde is sourced from PubChem (CID 142750657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).