2-cyclohexyl-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione

C16H24N2O2 — CID 43558023

IUPAC2-cyclohexyl-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione
SMILESO=C1C2CC3CCCCC3N2C(=O)N1C1CCCCC1
InChIInChI=1S/C16H24N2O2/c19-15-14-10-11-6-4-5-9-13(11)18(14)16(20)17(15)12-7-2-1-3-8-12/h11-14H,1-10H2
InChIKeyHXVAEUDBZICRCS-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.91
Rot. Bonds1

About 2-cyclohexyl-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione

2-cyclohexyl-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione (PubChem CID 43558023) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-cyclohexyl-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione.

Molecular Properties

Compound Name2-cyclohexyl-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione
PubChem CID43558023
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-cyclohexyl-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione
SMILESO=C1C2CC3CCCCC3N2C(=O)N1C1CCCCC1
InChIInChI=1S/C16H24N2O2/c19-15-14-10-11-6-4-5-9-13(11)18(14)16(20)17(15)12-7-2-1-3-8-12/h11-14H,1-10H2
InChIKeyHXVAEUDBZICRCS-UHFFFAOYSA-N
XLogP2.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione?
The IUPAC name of 2-cyclohexyl-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione (CID 43558023) is 2-cyclohexyl-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione.
What is the SMILES notation for 2-cyclohexyl-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione?
The canonical SMILES for 2-cyclohexyl-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione is O=C1C2CC3CCCCC3N2C(=O)N1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione?
The InChIKey is HXVAEUDBZICRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-15-14-10-11-6-4-5-9-13(11)18(14)16(20)17(15)12-7-2-1-3-8-12/h11-14H,1-10H2.
What are the key properties of 2-cyclohexyl-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione?
2-cyclohexyl-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione has a molecular weight of 276.38 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione is sourced from PubChem (CID 43558023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).