2,3,4,4a,7,8,9,9a-octahydro-1H-carbazole

C12H17N — CID 14123057

IUPAC2,3,4,4a,7,8,9,9a-octahydro-1H-carbazole
SMILESC1=CC2=C(CC1)NC1CCCCC21
InChIInChI=1S/C12H17N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,5,10,12-13H,2-4,6-8H2
InChIKeyOICBNYWKZNIKPH-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.75
Rot. Bonds

About 2,3,4,4a,7,8,9,9a-octahydro-1H-carbazole

2,3,4,4a,7,8,9,9a-octahydro-1H-carbazole (PubChem CID 14123057) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 2,3,4,4a,7,8,9,9a-octahydro-1H-carbazole.

Molecular Properties

Compound Name2,3,4,4a,7,8,9,9a-octahydro-1H-carbazole
PubChem CID14123057
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name2,3,4,4a,7,8,9,9a-octahydro-1H-carbazole
SMILESC1=CC2=C(CC1)NC1CCCCC21
InChIInChI=1S/C12H17N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,5,10,12-13H,2-4,6-8H2
InChIKeyOICBNYWKZNIKPH-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,7,8,9,9a-octahydro-1H-carbazole?
The IUPAC name of 2,3,4,4a,7,8,9,9a-octahydro-1H-carbazole (CID 14123057) is 2,3,4,4a,7,8,9,9a-octahydro-1H-carbazole.
What is the SMILES notation for 2,3,4,4a,7,8,9,9a-octahydro-1H-carbazole?
The canonical SMILES for 2,3,4,4a,7,8,9,9a-octahydro-1H-carbazole is C1=CC2=C(CC1)NC1CCCCC21.
What is the InChIKey of 2,3,4,4a,7,8,9,9a-octahydro-1H-carbazole?
The InChIKey is OICBNYWKZNIKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,5,10,12-13H,2-4,6-8H2.
What are the key properties of 2,3,4,4a,7,8,9,9a-octahydro-1H-carbazole?
2,3,4,4a,7,8,9,9a-octahydro-1H-carbazole has a molecular weight of 175.28 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,7,8,9,9a-octahydro-1H-carbazole is sourced from PubChem (CID 14123057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).