8-(1H-benzimidazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-one

C15H17N3O2 — CID 166081926

IUPAC8-(1H-benzimidazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(c3cccc4[nH]cnc34)CC2)O1
InChIInChI=1S/C15H17N3O2/c19-13-4-5-15(20-13)6-8-18(9-7-15)12-3-1-2-11-14(12)17-10-16-11/h1-3,10H,4-9H2,(H,16,17)
InChIKeyPAYVSBHDGJFWGO-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.24
Rot. Bonds1

About 8-(1H-benzimidazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-one

8-(1H-benzimidazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-one (PubChem CID 166081926) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 8-(1H-benzimidazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(1H-benzimidazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-one
PubChem CID166081926
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name8-(1H-benzimidazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(c3cccc4[nH]cnc34)CC2)O1
InChIInChI=1S/C15H17N3O2/c19-13-4-5-15(20-13)6-8-18(9-7-15)12-3-1-2-11-14(12)17-10-16-11/h1-3,10H,4-9H2,(H,16,17)
InChIKeyPAYVSBHDGJFWGO-UHFFFAOYSA-N
XLogP2.24
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(1H-benzimidazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 8-(1H-benzimidazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-one (CID 166081926) is 8-(1H-benzimidazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(1H-benzimidazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(1H-benzimidazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-one is O=C1CCC2(CCN(c3cccc4[nH]cnc34)CC2)O1.
What is the InChIKey of 8-(1H-benzimidazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is PAYVSBHDGJFWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-13-4-5-15(20-13)6-8-18(9-7-15)12-3-1-2-11-14(12)17-10-16-11/h1-3,10H,4-9H2,(H,16,17).
What are the key properties of 8-(1H-benzimidazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-one?
8-(1H-benzimidazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-one has a molecular weight of 271.32 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-benzimidazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 166081926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).