9-[(1-propan-2-ylimidazol-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one

C15H23N3O2 — CID 72843547

IUPAC9-[(1-propan-2-ylimidazol-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCC(C)n1ccnc1CN1CC2(CCOC2)CCC1=O
InChIInChI=1S/C15H23N3O2/c1-12(2)18-7-6-16-13(18)9-17-10-15(4-3-14(17)19)5-8-20-11-15/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyJBQMXDOVUOOXOI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.99
Rot. Bonds3

About 9-[(1-propan-2-ylimidazol-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one

9-[(1-propan-2-ylimidazol-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 72843547) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 9-[(1-propan-2-ylimidazol-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name9-[(1-propan-2-ylimidazol-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID72843547
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name9-[(1-propan-2-ylimidazol-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCC(C)n1ccnc1CN1CC2(CCOC2)CCC1=O
InChIInChI=1S/C15H23N3O2/c1-12(2)18-7-6-16-13(18)9-17-10-15(4-3-14(17)19)5-8-20-11-15/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyJBQMXDOVUOOXOI-UHFFFAOYSA-N
XLogP1.99
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(1-ethyl-1H-imidazol-2-yl)methyl]-3-(2-methoxyethyl)-3-piperidinecarboxylate
CID 45243309
N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxamide
CID 72923453
8-[(1-isopropyl-1H-imidazol-2-yl)methyl]-1-oxa-8-azaspiro[4.6]undecan-9-one
CID 56870328
9-[4-(2-methyl-1H-imidazol-1-yl)butanoyl]-2-(tetrahydrofuran-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72896634
[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-8-yl](1-methyl-1H-imidazol-2-yl)methanone
CID 91922209
7-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72862931
N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-[(3R)-oxolan-3-yl]acetamide
CID 164639534
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-3-(oxan-3-yl)propanamide
CID 132291335
1-{[1-(methoxymethyl)cyclobutyl]carbonyl}-2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidine
CID 50953123
8-[2-(2-isopropyl-1H-imidazol-1-yl)propanoyl]-1-oxa-8-azaspiro[4.5]decane
CID 56872776
2-[(2-ethyl-1H-imidazol-1-yl)acetyl]-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72885977
7-{2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72901184

Frequently Asked Questions

What is the IUPAC name of 9-[(1-propan-2-ylimidazol-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of 9-[(1-propan-2-ylimidazol-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one (CID 72843547) is 9-[(1-propan-2-ylimidazol-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for 9-[(1-propan-2-ylimidazol-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for 9-[(1-propan-2-ylimidazol-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one is CC(C)n1ccnc1CN1CC2(CCOC2)CCC1=O.
What is the InChIKey of 9-[(1-propan-2-ylimidazol-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is JBQMXDOVUOOXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(2)18-7-6-16-13(18)9-17-10-15(4-3-14(17)19)5-8-20-11-15/h6-7,12H,3-5,8-11H2,1-2H3.
What are the key properties of 9-[(1-propan-2-ylimidazol-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
9-[(1-propan-2-ylimidazol-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 277.37 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-propan-2-ylimidazol-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 72843547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).