2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde

C10H11NO — CID 87384512

IUPAC2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde
SMILESCC1Nc2ccccc2C1C=O
InChIInChI=1S/C10H11NO/c1-7-9(6-12)8-4-2-3-5-10(8)11-7/h2-7,9,11H,1H3
InChIKeyVRPNNNHTNWSTOE-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.78
Rot. Bonds1

About 2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde

2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde (PubChem CID 87384512) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde
PubChem CID87384512
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde
SMILESCC1Nc2ccccc2C1C=O
InChIInChI=1S/C10H11NO/c1-7-9(6-12)8-4-2-3-5-10(8)11-7/h2-7,9,11H,1H3
InChIKeyVRPNNNHTNWSTOE-UHFFFAOYSA-N
XLogP1.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
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 2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde?
The IUPAC name of 2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde (CID 87384512) is 2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde is CC1Nc2ccccc2C1C=O.
What is the InChIKey of 2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde?
The InChIKey is VRPNNNHTNWSTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7-9(6-12)8-4-2-3-5-10(8)11-7/h2-7,9,11H,1H3.
What are the key properties of 2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde?
2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde has a molecular weight of 161.20 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde is sourced from PubChem (CID 87384512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).