(2R)-2-methyl-2,3-dihydroindole-1-carbaldehyde

C10H11NO — CID 141029511

IUPAC(2R)-2-methyl-2,3-dihydroindole-1-carbaldehyde
SMILESC[C@@H]1Cc2ccccc2N1C=O
InChIInChI=1S/C10H11NO/c1-8-6-9-4-2-3-5-10(9)11(8)7-12/h2-5,7-8H,6H2,1H3/t8-/m1/s1
InChIKeyLSUVKHHIUWRDOL-MRVPVSSYSA-N
MW161.20 g/mol
LogP1.59
Rot. Bonds1

About (2R)-2-methyl-2,3-dihydroindole-1-carbaldehyde

(2R)-2-methyl-2,3-dihydroindole-1-carbaldehyde (PubChem CID 141029511) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (2R)-2-methyl-2,3-dihydroindole-1-carbaldehyde.

Molecular Properties

Compound Name(2R)-2-methyl-2,3-dihydroindole-1-carbaldehyde
PubChem CID141029511
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(2R)-2-methyl-2,3-dihydroindole-1-carbaldehyde
SMILESC[C@@H]1Cc2ccccc2N1C=O
InChIInChI=1S/C10H11NO/c1-8-6-9-4-2-3-5-10(9)11(8)7-12/h2-5,7-8H,6H2,1H3/t8-/m1/s1
InChIKeyLSUVKHHIUWRDOL-MRVPVSSYSA-N
XLogP1.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-iodo-2-methyl-2,3-dihydroindole
CID 142057461
(5S)-5-methyl-4,5-dihydro-[1,3]thiazolo[2,3-d][1,5]benzodiazepin-11-ium-6-carbaldehyde
CID 715890
2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole
CID 20685477
3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzaldehyde
CID 63051201
1,3,3-trimethyl-2-[(E)-2-(2-methyl-2,3-dihydroindol-1-yl)ethenyl]-2H-indole;hydroiodide
CID 173386636
2,3-dihydroindol-1-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 108991218
CID 174545323
CID 174545323
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
5-[(2Z,4E)-2-hydroxy-5-(2-methyl-2,3-dihydroindol-1-yl)penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 163358794
2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole
CID 102141492
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
[(1R,2R)-2-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-3-methylidenecyclopropyl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 25358035

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2,3-dihydroindole-1-carbaldehyde?
The IUPAC name of (2R)-2-methyl-2,3-dihydroindole-1-carbaldehyde (CID 141029511) is (2R)-2-methyl-2,3-dihydroindole-1-carbaldehyde.
What is the SMILES notation for (2R)-2-methyl-2,3-dihydroindole-1-carbaldehyde?
The canonical SMILES for (2R)-2-methyl-2,3-dihydroindole-1-carbaldehyde is C[C@@H]1Cc2ccccc2N1C=O.
What is the InChIKey of (2R)-2-methyl-2,3-dihydroindole-1-carbaldehyde?
The InChIKey is LSUVKHHIUWRDOL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11NO/c1-8-6-9-4-2-3-5-10(9)11(8)7-12/h2-5,7-8H,6H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-methyl-2,3-dihydroindole-1-carbaldehyde?
(2R)-2-methyl-2,3-dihydroindole-1-carbaldehyde has a molecular weight of 161.20 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2,3-dihydroindole-1-carbaldehyde is sourced from PubChem (CID 141029511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).