6-amino-3-methyl-1H-indole-2-carbaldehyde

C10H10N2O — CID 96630486

IUPAC6-amino-3-methyl-1H-indole-2-carbaldehyde
SMILESCc1c(C=O)[nH]c2cc(N)ccc12
InChIInChI=1S/C10H10N2O/c1-6-8-3-2-7(11)4-9(8)12-10(6)5-13/h2-5,12H,11H2,1H3
InChIKeyFOTBABXNSJFADM-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.87
Rot. Bonds1

About 6-amino-3-methyl-1H-indole-2-carbaldehyde

6-amino-3-methyl-1H-indole-2-carbaldehyde (PubChem CID 96630486) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 6-amino-3-methyl-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name6-amino-3-methyl-1H-indole-2-carbaldehyde
PubChem CID96630486
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name6-amino-3-methyl-1H-indole-2-carbaldehyde
SMILESCc1c(C=O)[nH]c2cc(N)ccc12
InChIInChI=1S/C10H10N2O/c1-6-8-3-2-7(11)4-9(8)12-10(6)5-13/h2-5,12H,11H2,1H3
InChIKeyFOTBABXNSJFADM-UHFFFAOYSA-N
XLogP1.87
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-3-methyl-1H-indole-2-carbaldehyde
CID 23022136
7-amino-4-methyl-1H-quinolin-2-one;benzene-1,3-diamine
CID 159619510
7-amino-3-(2,2-dimethylpropyl)-4-methyl-1H-quinolin-2-one
CID 91459928
5-fluoro-6-methoxy-3-methyl-1H-indole-2-carbaldehyde
CID 105459946
6-amino-3,4-dimethyl-2H-isoquinolin-1-one
CID 175921906
7-amino-1H-quinazoline-2,4-dithione
CID 139069553
7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbaldehyde
CID 84620523
6-methoxy-1H-indole-2,3-dicarbaldehyde
CID 89262984
8-methyl-5,11-dihydroindolo[3,2-b]carbazol-2-amine
CID 123384681
3-ethyl-1H-indol-6-amine;N-methylformamide
CID 155742399
1,4-dimethylnaphthalene-2,6-diamine
CID 139601162
6-cyclopropyloxy-2,3-dimethyl-1H-indole
CID 156561443

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1H-indole-2-carbaldehyde?
The IUPAC name of 6-amino-3-methyl-1H-indole-2-carbaldehyde (CID 96630486) is 6-amino-3-methyl-1H-indole-2-carbaldehyde.
What is the SMILES notation for 6-amino-3-methyl-1H-indole-2-carbaldehyde?
The canonical SMILES for 6-amino-3-methyl-1H-indole-2-carbaldehyde is Cc1c(C=O)[nH]c2cc(N)ccc12.
What is the InChIKey of 6-amino-3-methyl-1H-indole-2-carbaldehyde?
The InChIKey is FOTBABXNSJFADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-6-8-3-2-7(11)4-9(8)12-10(6)5-13/h2-5,12H,11H2,1H3.
What are the key properties of 6-amino-3-methyl-1H-indole-2-carbaldehyde?
6-amino-3-methyl-1H-indole-2-carbaldehyde has a molecular weight of 174.20 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1H-indole-2-carbaldehyde is sourced from PubChem (CID 96630486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).