9-ethyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole

C14H21N — CID 70571088

IUPAC9-ethyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole
SMILESCCN1C2=CC=CCC2C2CCCCC21
InChIInChI=1S/C14H21N/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3,5,9,11-12,14H,2,4,6-8,10H2,1H3
InChIKeyRFYROQBOYUPMTF-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.34
Rot. Bonds1

About 9-ethyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole

9-ethyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole (PubChem CID 70571088) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 9-ethyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole.

Molecular Properties

Compound Name9-ethyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole
PubChem CID70571088
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name9-ethyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole
SMILESCCN1C2=CC=CCC2C2CCCCC21
InChIInChI=1S/C14H21N/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3,5,9,11-12,14H,2,4,6-8,10H2,1H3
InChIKeyRFYROQBOYUPMTF-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole?
The IUPAC name of 9-ethyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole (CID 70571088) is 9-ethyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole.
What is the SMILES notation for 9-ethyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole?
The canonical SMILES for 9-ethyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole is CCN1C2=CC=CCC2C2CCCCC21.
What is the InChIKey of 9-ethyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole?
The InChIKey is RFYROQBOYUPMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3,5,9,11-12,14H,2,4,6-8,10H2,1H3.
What are the key properties of 9-ethyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole?
9-ethyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole has a molecular weight of 203.33 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole is sourced from PubChem (CID 70571088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).