5-(dimethylamino)-2,3,3a,7a-tetrahydroindole-1-carbaldehyde

C11H16N2O — CID 89385445

IUPAC5-(dimethylamino)-2,3,3a,7a-tetrahydroindole-1-carbaldehyde
SMILESCN(C)C1=CC2CCN(C=O)C2C=C1
InChIInChI=1S/C11H16N2O/c1-12(2)10-3-4-11-9(7-10)5-6-13(11)8-14/h3-4,7-9,11H,5-6H2,1-2H3
InChIKeyZVMJXVZDWKHQJQ-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.85
Rot. Bonds2

About 5-(dimethylamino)-2,3,3a,7a-tetrahydroindole-1-carbaldehyde

5-(dimethylamino)-2,3,3a,7a-tetrahydroindole-1-carbaldehyde (PubChem CID 89385445) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-(dimethylamino)-2,3,3a,7a-tetrahydroindole-1-carbaldehyde.

Molecular Properties

Compound Name5-(dimethylamino)-2,3,3a,7a-tetrahydroindole-1-carbaldehyde
PubChem CID89385445
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name5-(dimethylamino)-2,3,3a,7a-tetrahydroindole-1-carbaldehyde
SMILESCN(C)C1=CC2CCN(C=O)C2C=C1
InChIInChI=1S/C11H16N2O/c1-12(2)10-3-4-11-9(7-10)5-6-13(11)8-14/h3-4,7-9,11H,5-6H2,1-2H3
InChIKeyZVMJXVZDWKHQJQ-UHFFFAOYSA-N
XLogP0.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.85
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 5-(dimethylamino)-2,3,3a,7a-tetrahydroindole-1-carbaldehyde?
The IUPAC name of 5-(dimethylamino)-2,3,3a,7a-tetrahydroindole-1-carbaldehyde (CID 89385445) is 5-(dimethylamino)-2,3,3a,7a-tetrahydroindole-1-carbaldehyde.
What is the SMILES notation for 5-(dimethylamino)-2,3,3a,7a-tetrahydroindole-1-carbaldehyde?
The canonical SMILES for 5-(dimethylamino)-2,3,3a,7a-tetrahydroindole-1-carbaldehyde is CN(C)C1=CC2CCN(C=O)C2C=C1.
What is the InChIKey of 5-(dimethylamino)-2,3,3a,7a-tetrahydroindole-1-carbaldehyde?
The InChIKey is ZVMJXVZDWKHQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-12(2)10-3-4-11-9(7-10)5-6-13(11)8-14/h3-4,7-9,11H,5-6H2,1-2H3.
What are the key properties of 5-(dimethylamino)-2,3,3a,7a-tetrahydroindole-1-carbaldehyde?
5-(dimethylamino)-2,3,3a,7a-tetrahydroindole-1-carbaldehyde has a molecular weight of 192.26 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2,3,3a,7a-tetrahydroindole-1-carbaldehyde is sourced from PubChem (CID 89385445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).