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

C16H17ClN2O2 — CID 43558014

IUPAC2-(3-chlorophenyl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione
SMILESO=C1C2CC3CCCCC3N2C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c17-11-5-3-6-12(9-11)18-15(20)14-8-10-4-1-2-7-13(10)19(14)16(18)21/h3,5-6,9-10,13-14H,1-2,4,7-8H2
InChIKeyUZRXJEQHTIYVCH-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.44
Rot. Bonds1

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

2-(3-chlorophenyl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione (PubChem CID 43558014) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione
PubChem CID43558014
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-(3-chlorophenyl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione
SMILESO=C1C2CC3CCCCC3N2C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c17-11-5-3-6-12(9-11)18-15(20)14-8-10-4-1-2-7-13(10)19(14)16(18)21/h3,5-6,9-10,13-14H,1-2,4,7-8H2
InChIKeyUZRXJEQHTIYVCH-UHFFFAOYSA-N
XLogP3.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 124864761
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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione?
The IUPAC name of 2-(3-chlorophenyl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione (CID 43558014) is 2-(3-chlorophenyl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione.
What is the SMILES notation for 2-(3-chlorophenyl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione?
The canonical SMILES for 2-(3-chlorophenyl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione is O=C1C2CC3CCCCC3N2C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione?
The InChIKey is UZRXJEQHTIYVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-11-5-3-6-12(9-11)18-15(20)14-8-10-4-1-2-7-13(10)19(14)16(18)21/h3,5-6,9-10,13-14H,1-2,4,7-8H2.
What are the key properties of 2-(3-chlorophenyl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione?
2-(3-chlorophenyl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione has a molecular weight of 304.78 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione is sourced from PubChem (CID 43558014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).