spiro[1H-indole-3,3'-2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine]-1',2-dione

C14H15N3O2 — CID 60526057

IUPACspiro[1H-indole-3,3'-2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine]-1',2-dione
SMILESO=C1NC2(C(=O)Nc3ccccc32)N2CCCCC12
InChIInChI=1S/C14H15N3O2/c18-12-11-7-3-4-8-17(11)14(16-12)9-5-1-2-6-10(9)15-13(14)19/h1-2,5-6,11H,3-4,7-8H2,(H,15,19)(H,16,18)
InChIKeyPWIDQGJYWQOVNP-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.78
Rot. Bonds

About spiro[1H-indole-3,3'-2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine]-1',2-dione

spiro[1H-indole-3,3'-2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine]-1',2-dione (PubChem CID 60526057) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is spiro[1H-indole-3,3'-2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine]-1',2-dione.

Molecular Properties

Compound Namespiro[1H-indole-3,3'-2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine]-1',2-dione
PubChem CID60526057
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Namespiro[1H-indole-3,3'-2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine]-1',2-dione
SMILESO=C1NC2(C(=O)Nc3ccccc32)N2CCCCC12
InChIInChI=1S/C14H15N3O2/c18-12-11-7-3-4-8-17(11)14(16-12)9-5-1-2-6-10(9)15-13(14)19/h1-2,5-6,11H,3-4,7-8H2,(H,15,19)(H,16,18)
InChIKeyPWIDQGJYWQOVNP-UHFFFAOYSA-N
XLogP0.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1H-indole-3,3'-2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine]-1',2-dione?
The IUPAC name of spiro[1H-indole-3,3'-2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine]-1',2-dione (CID 60526057) is spiro[1H-indole-3,3'-2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine]-1',2-dione.
What is the SMILES notation for spiro[1H-indole-3,3'-2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine]-1',2-dione?
The canonical SMILES for spiro[1H-indole-3,3'-2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine]-1',2-dione is O=C1NC2(C(=O)Nc3ccccc32)N2CCCCC12.
What is the InChIKey of spiro[1H-indole-3,3'-2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine]-1',2-dione?
The InChIKey is PWIDQGJYWQOVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-12-11-7-3-4-8-17(11)14(16-12)9-5-1-2-6-10(9)15-13(14)19/h1-2,5-6,11H,3-4,7-8H2,(H,15,19)(H,16,18).
What are the key properties of spiro[1H-indole-3,3'-2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine]-1',2-dione?
spiro[1H-indole-3,3'-2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine]-1',2-dione has a molecular weight of 257.29 g/mol, XLogP of 0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-indole-3,3'-2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine]-1',2-dione is sourced from PubChem (CID 60526057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).