1-methyl-3a,7a-dihydroindole-6-carbaldehyde

C10H11NO — CID 112711914

IUPAC1-methyl-3a,7a-dihydroindole-6-carbaldehyde
SMILESCN1C=CC2C=CC(C=O)=CC21
InChIInChI=1S/C10H11NO/c1-11-5-4-9-3-2-8(7-12)6-10(9)11/h2-7,9-10H,1H3
InChIKeyCAFJTOTZNKJBJZ-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.13
Rot. Bonds1

About 1-methyl-3a,7a-dihydroindole-6-carbaldehyde

1-methyl-3a,7a-dihydroindole-6-carbaldehyde (PubChem CID 112711914) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-methyl-3a,7a-dihydroindole-6-carbaldehyde.

Molecular Properties

Compound Name1-methyl-3a,7a-dihydroindole-6-carbaldehyde
PubChem CID112711914
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1-methyl-3a,7a-dihydroindole-6-carbaldehyde
SMILESCN1C=CC2C=CC(C=O)=CC21
InChIInChI=1S/C10H11NO/c1-11-5-4-9-3-2-8(7-12)6-10(9)11/h2-7,9-10H,1H3
InChIKeyCAFJTOTZNKJBJZ-UHFFFAOYSA-N
XLogP1.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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8-methylbicyclo[4.1.1]octa-2,4-diene-3,7-dicarbaldehyde
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3-aminocyclohepta-1,4,6-triene-1-carbaldehyde
CID 142495004
(7aS)-3a,7a-dihydro-1,3-benzodioxole-5-carbaldehyde
CID 90048315
N-(diaminomethylidene)acetamide;ethane;1-methyl-3a,7a-dihydroindole
CID 90770094
1,5-dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 165379437
(4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde
CID 89362390
2-(dimethylamino)-1,3-dimethyl-2,4-dihydropyrimidine-4-carbaldehyde
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1-methyl-4a,8a-dihydroquinolin-4-imine
CID 163905803
5-ethenyl-1,2-dimethyl-2H-pyridine
CID 69342103

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3a,7a-dihydroindole-6-carbaldehyde?
The IUPAC name of 1-methyl-3a,7a-dihydroindole-6-carbaldehyde (CID 112711914) is 1-methyl-3a,7a-dihydroindole-6-carbaldehyde.
What is the SMILES notation for 1-methyl-3a,7a-dihydroindole-6-carbaldehyde?
The canonical SMILES for 1-methyl-3a,7a-dihydroindole-6-carbaldehyde is CN1C=CC2C=CC(C=O)=CC21.
What is the InChIKey of 1-methyl-3a,7a-dihydroindole-6-carbaldehyde?
The InChIKey is CAFJTOTZNKJBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-11-5-4-9-3-2-8(7-12)6-10(9)11/h2-7,9-10H,1H3.
What are the key properties of 1-methyl-3a,7a-dihydroindole-6-carbaldehyde?
1-methyl-3a,7a-dihydroindole-6-carbaldehyde has a molecular weight of 161.20 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3a,7a-dihydroindole-6-carbaldehyde is sourced from PubChem (CID 112711914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).