6-(dimethylamino)-2,3-dihydroindole-1-carbaldehyde

C11H14N2O — CID 89385300

IUPAC6-(dimethylamino)-2,3-dihydroindole-1-carbaldehyde
SMILESCN(C)c1ccc2c(c1)N(C=O)CC2
InChIInChI=1S/C11H14N2O/c1-12(2)10-4-3-9-5-6-13(8-14)11(9)7-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeyVLIJMWLSDSLABN-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.27
Rot. Bonds2

About 6-(dimethylamino)-2,3-dihydroindole-1-carbaldehyde

6-(dimethylamino)-2,3-dihydroindole-1-carbaldehyde (PubChem CID 89385300) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 6-(dimethylamino)-2,3-dihydroindole-1-carbaldehyde.

Molecular Properties

Compound Name6-(dimethylamino)-2,3-dihydroindole-1-carbaldehyde
PubChem CID89385300
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name6-(dimethylamino)-2,3-dihydroindole-1-carbaldehyde
SMILESCN(C)c1ccc2c(c1)N(C=O)CC2
InChIInChI=1S/C11H14N2O/c1-12(2)10-4-3-9-5-6-13(8-14)11(9)7-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeyVLIJMWLSDSLABN-UHFFFAOYSA-N
XLogP1.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.27
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 6-(dimethylamino)-2,3-dihydroindole-1-carbaldehyde?
The IUPAC name of 6-(dimethylamino)-2,3-dihydroindole-1-carbaldehyde (CID 89385300) is 6-(dimethylamino)-2,3-dihydroindole-1-carbaldehyde.
What is the SMILES notation for 6-(dimethylamino)-2,3-dihydroindole-1-carbaldehyde?
The canonical SMILES for 6-(dimethylamino)-2,3-dihydroindole-1-carbaldehyde is CN(C)c1ccc2c(c1)N(C=O)CC2.
What is the InChIKey of 6-(dimethylamino)-2,3-dihydroindole-1-carbaldehyde?
The InChIKey is VLIJMWLSDSLABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-12(2)10-4-3-9-5-6-13(8-14)11(9)7-10/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 6-(dimethylamino)-2,3-dihydroindole-1-carbaldehyde?
6-(dimethylamino)-2,3-dihydroindole-1-carbaldehyde has a molecular weight of 190.25 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2,3-dihydroindole-1-carbaldehyde is sourced from PubChem (CID 89385300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).