[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-imidazol-2-yl)methanone

C11H15N3O3 — CID 110155728

IUPAC[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-imidazol-2-yl)methanone
SMILESO=C(c1ncc[nH]1)N1C[C@H](O)[C@]2(CCCO2)C1
InChIInChI=1S/C11H15N3O3/c15-8-6-14(7-11(8)2-1-5-17-11)10(16)9-12-3-4-13-9/h3-4,8,15H,1-2,5-7H2,(H,12,13)/t8-,11-/m0/s1
InChIKeySINQUSFKOHOCHE-KWQFWETISA-N
MW237.26 g/mol
LogP-0.22
Rot. Bonds1

About [(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-imidazol-2-yl)methanone

[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-imidazol-2-yl)methanone (PubChem CID 110155728) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is [(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Name[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-imidazol-2-yl)methanone
PubChem CID110155728
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-imidazol-2-yl)methanone
SMILESO=C(c1ncc[nH]1)N1C[C@H](O)[C@]2(CCCO2)C1
InChIInChI=1S/C11H15N3O3/c15-8-6-14(7-11(8)2-1-5-17-11)10(16)9-12-3-4-13-9/h3-4,8,15H,1-2,5-7H2,(H,12,13)/t8-,11-/m0/s1
InChIKeySINQUSFKOHOCHE-KWQFWETISA-N
XLogP-0.22
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-imidazol-2-yl)methanone?
The IUPAC name of [(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-imidazol-2-yl)methanone (CID 110155728) is [(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-imidazol-2-yl)methanone.
What is the SMILES notation for [(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-imidazol-2-yl)methanone?
The canonical SMILES for [(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-imidazol-2-yl)methanone is O=C(c1ncc[nH]1)N1C[C@H](O)[C@]2(CCCO2)C1.
What is the InChIKey of [(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-imidazol-2-yl)methanone?
The InChIKey is SINQUSFKOHOCHE-KWQFWETISA-N. The full InChI is InChI=1S/C11H15N3O3/c15-8-6-14(7-11(8)2-1-5-17-11)10(16)9-12-3-4-13-9/h3-4,8,15H,1-2,5-7H2,(H,12,13)/t8-,11-/m0/s1.
What are the key properties of [(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-imidazol-2-yl)methanone?
[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-imidazol-2-yl)methanone has a molecular weight of 237.26 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-imidazol-2-yl)methanone is sourced from PubChem (CID 110155728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).