6-amino-1H-indole-4-carbaldehyde

C9H8N2O — CID 88910785

IUPAC6-amino-1H-indole-4-carbaldehyde
SMILESNc1cc(C=O)c2cc[nH]c2c1
InChIInChI=1S/C9H8N2O/c10-7-3-6(5-12)8-1-2-11-9(8)4-7/h1-5,11H,10H2
InChIKeyPFPIKXPKBPWPEJ-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.56
Rot. Bonds1

About 6-amino-1H-indole-4-carbaldehyde

6-amino-1H-indole-4-carbaldehyde (PubChem CID 88910785) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 6-amino-1H-indole-4-carbaldehyde.

Molecular Properties

Compound Name6-amino-1H-indole-4-carbaldehyde
PubChem CID88910785
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name6-amino-1H-indole-4-carbaldehyde
SMILESNc1cc(C=O)c2cc[nH]c2c1
InChIInChI=1S/C9H8N2O/c10-7-3-6(5-12)8-1-2-11-9(8)4-7/h1-5,11H,10H2
InChIKeyPFPIKXPKBPWPEJ-UHFFFAOYSA-N
XLogP1.56
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Indole-3-Carboxaldehyde
CID 10256
Indole-3-acetamide
CID 397
Indole-4-carboxaldehyde
CID 333703
Indole-5-carboxamide
CID 14973220
3-Acetylindole
CID 12802
1H-indole-3-carboxamide
CID 2192542
Indole-3-acetaldehyde
CID 800
Indole, 3-(dimethylaminoacetyl)-
CID 34863
5-Carboxamidotryptamine
CID 1809
3-(3-Dimethylaminopropionyl)indole
CID 32750
3-(1H-indol-3-yl)propanamide
CID 351791
N-(1H-indol-5-yl)benzamide
CID 2814138

Frequently Asked Questions

What is the IUPAC name of 6-amino-1H-indole-4-carbaldehyde?
The IUPAC name of 6-amino-1H-indole-4-carbaldehyde (CID 88910785) is 6-amino-1H-indole-4-carbaldehyde.
What is the SMILES notation for 6-amino-1H-indole-4-carbaldehyde?
The canonical SMILES for 6-amino-1H-indole-4-carbaldehyde is Nc1cc(C=O)c2cc[nH]c2c1.
What is the InChIKey of 6-amino-1H-indole-4-carbaldehyde?
The InChIKey is PFPIKXPKBPWPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c10-7-3-6(5-12)8-1-2-11-9(8)4-7/h1-5,11H,10H2.
What are the key properties of 6-amino-1H-indole-4-carbaldehyde?
6-amino-1H-indole-4-carbaldehyde has a molecular weight of 160.18 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1H-indole-4-carbaldehyde is sourced from PubChem (CID 88910785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).