N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide

C14H16N2O — CID 20529236

IUPACN-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
SMILESCC(=O)NC1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C14H16N2O/c1-9(17)15-10-6-7-12-11-4-2-3-5-13(11)16-14(12)8-10/h2-5,10,16H,6-8H2,1H3,(H,15,17)
InChIKeyFXWGUHLRQVCMMC-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.16
Rot. Bonds1

About N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide

N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide (PubChem CID 20529236) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
PubChem CID20529236
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
SMILESCC(=O)NC1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C14H16N2O/c1-9(17)15-10-6-7-12-11-4-2-3-5-13(11)16-14(12)8-10/h2-5,10,16H,6-8H2,1H3,(H,15,17)
InChIKeyFXWGUHLRQVCMMC-UHFFFAOYSA-N
XLogP2.16
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide?
The IUPAC name of N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide (CID 20529236) is N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide.
What is the SMILES notation for N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide?
The canonical SMILES for N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide is CC(=O)NC1CCc2c([nH]c3ccccc23)C1.
What is the InChIKey of N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide?
The InChIKey is FXWGUHLRQVCMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9(17)15-10-6-7-12-11-4-2-3-5-13(11)16-14(12)8-10/h2-5,10,16H,6-8H2,1H3,(H,15,17).
What are the key properties of N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide?
N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide has a molecular weight of 228.30 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide is sourced from PubChem (CID 20529236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).