(2R)-2-methyl-2,3,4,5-tetrahydroindole-1-carbaldehyde

C10H13NO — CID 145236764

IUPAC(2R)-2-methyl-2,3,4,5-tetrahydroindole-1-carbaldehyde
SMILESC[C@@H]1CC2=C(C=CCC2)N1C=O
InChIInChI=1S/C10H13NO/c1-8-6-9-4-2-3-5-10(9)11(8)7-12/h3,5,7-8H,2,4,6H2,1H3/t8-/m1/s1
InChIKeyKIHGNYJZYPCMDH-MRVPVSSYSA-N
MW163.22 g/mol
LogP1.84
Rot. Bonds1

About (2R)-2-methyl-2,3,4,5-tetrahydroindole-1-carbaldehyde

(2R)-2-methyl-2,3,4,5-tetrahydroindole-1-carbaldehyde (PubChem CID 145236764) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (2R)-2-methyl-2,3,4,5-tetrahydroindole-1-carbaldehyde.

Molecular Properties

Compound Name(2R)-2-methyl-2,3,4,5-tetrahydroindole-1-carbaldehyde
PubChem CID145236764
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(2R)-2-methyl-2,3,4,5-tetrahydroindole-1-carbaldehyde
SMILESC[C@@H]1CC2=C(C=CCC2)N1C=O
InChIInChI=1S/C10H13NO/c1-8-6-9-4-2-3-5-10(9)11(8)7-12/h3,5,7-8H,2,4,6H2,1H3/t8-/m1/s1
InChIKeyKIHGNYJZYPCMDH-MRVPVSSYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.84
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

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(2-oxo-4,5-dihydro-3H-indol-1-yl) methanesulfonate
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1-[(E)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-indene
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2,3,4,5-tetrahydroindole-1-carbaldehyde?
The IUPAC name of (2R)-2-methyl-2,3,4,5-tetrahydroindole-1-carbaldehyde (CID 145236764) is (2R)-2-methyl-2,3,4,5-tetrahydroindole-1-carbaldehyde.
What is the SMILES notation for (2R)-2-methyl-2,3,4,5-tetrahydroindole-1-carbaldehyde?
The canonical SMILES for (2R)-2-methyl-2,3,4,5-tetrahydroindole-1-carbaldehyde is C[C@@H]1CC2=C(C=CCC2)N1C=O.
What is the InChIKey of (2R)-2-methyl-2,3,4,5-tetrahydroindole-1-carbaldehyde?
The InChIKey is KIHGNYJZYPCMDH-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13NO/c1-8-6-9-4-2-3-5-10(9)11(8)7-12/h3,5,7-8H,2,4,6H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-methyl-2,3,4,5-tetrahydroindole-1-carbaldehyde?
(2R)-2-methyl-2,3,4,5-tetrahydroindole-1-carbaldehyde has a molecular weight of 163.22 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2,3,4,5-tetrahydroindole-1-carbaldehyde is sourced from PubChem (CID 145236764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).