9-[3-(1H-imidazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one

C14H21N3O2 — CID 86284805

IUPAC9-[3-(1H-imidazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESO=C1CCC2(CCOC2)CN1CCCc1ncc[nH]1
InChIInChI=1S/C14H21N3O2/c18-13-3-4-14(5-9-19-11-14)10-17(13)8-1-2-12-15-6-7-16-12/h6-7H,1-5,8-11H2,(H,15,16)
InChIKeyZTRRGOORCPOBKJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.37
Rot. Bonds4

About 9-[3-(1H-imidazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one

9-[3-(1H-imidazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 86284805) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 9-[3-(1H-imidazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name9-[3-(1H-imidazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID86284805
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name9-[3-(1H-imidazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESO=C1CCC2(CCOC2)CN1CCCc1ncc[nH]1
InChIInChI=1S/C14H21N3O2/c18-13-3-4-14(5-9-19-11-14)10-17(13)8-1-2-12-15-6-7-16-12/h6-7H,1-5,8-11H2,(H,15,16)
InChIKeyZTRRGOORCPOBKJ-UHFFFAOYSA-N
XLogP1.37
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(1H-imidazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of 9-[3-(1H-imidazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one (CID 86284805) is 9-[3-(1H-imidazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for 9-[3-(1H-imidazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for 9-[3-(1H-imidazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one is O=C1CCC2(CCOC2)CN1CCCc1ncc[nH]1.
What is the InChIKey of 9-[3-(1H-imidazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is ZTRRGOORCPOBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-13-3-4-14(5-9-19-11-14)10-17(13)8-1-2-12-15-6-7-16-12/h6-7H,1-5,8-11H2,(H,15,16).
What are the key properties of 9-[3-(1H-imidazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
9-[3-(1H-imidazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 263.34 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(1H-imidazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 86284805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).