5H-indole-4-carbaldehyde

C9H7NO — CID 174549053

IUPAC5H-indole-4-carbaldehyde
SMILESO=CC1=C2C=CN=C2C=CC1
InChIInChI=1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1,3-6H,2H2
InChIKeyVPRSQUDEXUBIDR-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.41
Rot. Bonds1

About 5H-indole-4-carbaldehyde

5H-indole-4-carbaldehyde (PubChem CID 174549053) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 5H-indole-4-carbaldehyde.

Molecular Properties

Compound Name5H-indole-4-carbaldehyde
PubChem CID174549053
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name5H-indole-4-carbaldehyde
SMILESO=CC1=C2C=CN=C2C=CC1
InChIInChI=1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1,3-6H,2H2
InChIKeyVPRSQUDEXUBIDR-UHFFFAOYSA-N
XLogP1.41
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Indol-7-one
CID 18376413
Indol-5-one
CID 21494587
6-fluoro-2H-indole-7-carbaldehyde
CID 87383215
2H-benzimidazole-4-carbaldehyde
CID 60083258
2H-indole-3-carbaldehyde
CID 124419033
5H-indole-2-carbaldehyde
CID 141242887
4H-cyclopenta[b]pyridine-3-carbaldehyde
CID 145273813
(3E)-4-methylidene-3-prop-2-enylidenepyridine-2-carbaldehyde
CID 145424269
2-(Oxomethylidene)indole-5-carbaldehyde
CID 150437991
2-(Oxomethylidene)indole-3-carbaldehyde
CID 153875511
Cyclopenta[b]pyridin-4-one
CID 154347966
7H-indole-3-carbaldehyde
CID 155287094

Frequently Asked Questions

What is the IUPAC name of 5H-indole-4-carbaldehyde?
The IUPAC name of 5H-indole-4-carbaldehyde (CID 174549053) is 5H-indole-4-carbaldehyde.
What is the SMILES notation for 5H-indole-4-carbaldehyde?
The canonical SMILES for 5H-indole-4-carbaldehyde is O=CC1=C2C=CN=C2C=CC1.
What is the InChIKey of 5H-indole-4-carbaldehyde?
The InChIKey is VPRSQUDEXUBIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1,3-6H,2H2.
What are the key properties of 5H-indole-4-carbaldehyde?
5H-indole-4-carbaldehyde has a molecular weight of 145.16 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-indole-4-carbaldehyde is sourced from PubChem (CID 174549053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).