2-(6-amino-1,2,3,4-tetrahydrocarbazol-9-yl)acetaldehyde

C14H16N2O — CID 89146062

IUPAC2-(6-amino-1,2,3,4-tetrahydrocarbazol-9-yl)acetaldehyde
SMILESNc1ccc2c(c1)c1c(n2CC=O)CCCC1
InChIInChI=1S/C14H16N2O/c15-10-5-6-14-12(9-10)11-3-1-2-4-13(11)16(14)7-8-17/h5-6,8-9H,1-4,7,15H2
InChIKeyFFEYOLWPIBTKRW-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.30
Rot. Bonds2

About 2-(6-amino-1,2,3,4-tetrahydrocarbazol-9-yl)acetaldehyde

2-(6-amino-1,2,3,4-tetrahydrocarbazol-9-yl)acetaldehyde (PubChem CID 89146062) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(6-amino-1,2,3,4-tetrahydrocarbazol-9-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-amino-1,2,3,4-tetrahydrocarbazol-9-yl)acetaldehyde
PubChem CID89146062
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-(6-amino-1,2,3,4-tetrahydrocarbazol-9-yl)acetaldehyde
SMILESNc1ccc2c(c1)c1c(n2CC=O)CCCC1
InChIInChI=1S/C14H16N2O/c15-10-5-6-14-12(9-10)11-3-1-2-4-13(11)16(14)7-8-17/h5-6,8-9H,1-4,7,15H2
InChIKeyFFEYOLWPIBTKRW-UHFFFAOYSA-N
XLogP2.30
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-1,2,3,4-tetrahydrocarbazol-9-yl)acetaldehyde?
The IUPAC name of 2-(6-amino-1,2,3,4-tetrahydrocarbazol-9-yl)acetaldehyde (CID 89146062) is 2-(6-amino-1,2,3,4-tetrahydrocarbazol-9-yl)acetaldehyde.
What is the SMILES notation for 2-(6-amino-1,2,3,4-tetrahydrocarbazol-9-yl)acetaldehyde?
The canonical SMILES for 2-(6-amino-1,2,3,4-tetrahydrocarbazol-9-yl)acetaldehyde is Nc1ccc2c(c1)c1c(n2CC=O)CCCC1.
What is the InChIKey of 2-(6-amino-1,2,3,4-tetrahydrocarbazol-9-yl)acetaldehyde?
The InChIKey is FFEYOLWPIBTKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-10-5-6-14-12(9-10)11-3-1-2-4-13(11)16(14)7-8-17/h5-6,8-9H,1-4,7,15H2.
What are the key properties of 2-(6-amino-1,2,3,4-tetrahydrocarbazol-9-yl)acetaldehyde?
2-(6-amino-1,2,3,4-tetrahydrocarbazol-9-yl)acetaldehyde has a molecular weight of 228.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-1,2,3,4-tetrahydrocarbazol-9-yl)acetaldehyde is sourced from PubChem (CID 89146062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).