3-(aminomethyl)-1H-indole-7-carbaldehyde

C10H10N2O — CID 88961406

IUPAC3-(aminomethyl)-1H-indole-7-carbaldehyde
SMILESNCc1c[nH]c2c(C=O)cccc12
InChIInChI=1S/C10H10N2O/c11-4-8-5-12-10-7(6-13)2-1-3-9(8)10/h1-3,5-6,12H,4,11H2
InChIKeyMUDGAGSZOHBRMI-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.44
Rot. Bonds2

About 3-(aminomethyl)-1H-indole-7-carbaldehyde

3-(aminomethyl)-1H-indole-7-carbaldehyde (PubChem CID 88961406) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-(aminomethyl)-1H-indole-7-carbaldehyde.

Molecular Properties

Compound Name3-(aminomethyl)-1H-indole-7-carbaldehyde
PubChem CID88961406
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-(aminomethyl)-1H-indole-7-carbaldehyde
SMILESNCc1c[nH]c2c(C=O)cccc12
InChIInChI=1S/C10H10N2O/c11-4-8-5-12-10-7(6-13)2-1-3-9(8)10/h1-3,5-6,12H,4,11H2
InChIKeyMUDGAGSZOHBRMI-UHFFFAOYSA-N
XLogP1.44
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-(7-formyl-1H-indol-3-yl)propanoic acid
CID 102224703
(7-nitro-1H-indol-3-yl)methanamine
CID 76844656
[3-(methylaminomethyl)-1H-indol-7-yl]methanamine
CID 117181665
[7-(phenylmethoxymethyl)-1H-indol-3-yl]methanamine
CID 34178501
3-(7-ethenyl-1H-indol-3-yl)propanoic acid
CID 126584246
[3-(propan-2-ylsulfonylmethyl)-1H-indol-7-yl]methanamine
CID 117181682
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
5-[(7-methyl-1H-indol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde
CID 82388023
[3-(pyrrolidin-1-ylmethyl)-1H-indol-7-yl]methanamine
CID 84692922
9-ethyl-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
CID 52940742
(7-bromo-6-methyl-1H-indol-3-yl)methanamine
CID 130049517
2-(7-methyl-1H-indol-3-yl)ethanamine chloride
CID 53351005

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1H-indole-7-carbaldehyde?
The IUPAC name of 3-(aminomethyl)-1H-indole-7-carbaldehyde (CID 88961406) is 3-(aminomethyl)-1H-indole-7-carbaldehyde.
What is the SMILES notation for 3-(aminomethyl)-1H-indole-7-carbaldehyde?
The canonical SMILES for 3-(aminomethyl)-1H-indole-7-carbaldehyde is NCc1c[nH]c2c(C=O)cccc12.
What is the InChIKey of 3-(aminomethyl)-1H-indole-7-carbaldehyde?
The InChIKey is MUDGAGSZOHBRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-4-8-5-12-10-7(6-13)2-1-3-9(8)10/h1-3,5-6,12H,4,11H2.
What are the key properties of 3-(aminomethyl)-1H-indole-7-carbaldehyde?
3-(aminomethyl)-1H-indole-7-carbaldehyde has a molecular weight of 174.20 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1H-indole-7-carbaldehyde is sourced from PubChem (CID 88961406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).