1-(4a-ethyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone

C16H21NO — CID 5232306

IUPAC1-(4a-ethyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone
SMILESCCC12CCCCC1N(C(C)=O)c1ccccc12
InChIInChI=1S/C16H21NO/c1-3-16-11-7-6-10-15(16)17(12(2)18)14-9-5-4-8-13(14)16/h4-5,8-9,15H,3,6-7,10-11H2,1-2H3
InChIKeyHRRXIJHLUMENRL-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.64
Rot. Bonds1

About 1-(4a-ethyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone

1-(4a-ethyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone (PubChem CID 5232306) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(4a-ethyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone.

Molecular Properties

Compound Name1-(4a-ethyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone
PubChem CID5232306
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-(4a-ethyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone
SMILESCCC12CCCCC1N(C(C)=O)c1ccccc12
InChIInChI=1S/C16H21NO/c1-3-16-11-7-6-10-15(16)17(12(2)18)14-9-5-4-8-13(14)16/h4-5,8-9,15H,3,6-7,10-11H2,1-2H3
InChIKeyHRRXIJHLUMENRL-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4a-ethyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone?
The IUPAC name of 1-(4a-ethyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone (CID 5232306) is 1-(4a-ethyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone.
What is the SMILES notation for 1-(4a-ethyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone?
The canonical SMILES for 1-(4a-ethyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone is CCC12CCCCC1N(C(C)=O)c1ccccc12.
What is the InChIKey of 1-(4a-ethyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone?
The InChIKey is HRRXIJHLUMENRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-16-11-7-6-10-15(16)17(12(2)18)14-9-5-4-8-13(14)16/h4-5,8-9,15H,3,6-7,10-11H2,1-2H3.
What are the key properties of 1-(4a-ethyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone?
1-(4a-ethyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone has a molecular weight of 243.35 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4a-ethyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone is sourced from PubChem (CID 5232306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).