3-methyl-8-[(1-methylimidazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C13H20N4O2 — CID 70741145

IUPAC3-methyl-8-[(1-methylimidazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(Cc3nccn3C)CC2)OC1=O
InChIInChI=1S/C13H20N4O2/c1-15-8-5-14-11(15)9-17-6-3-13(4-7-17)10-16(2)12(18)19-13/h5,8H,3-4,6-7,9-10H2,1-2H3
InChIKeyCJHHNXOSTUMMES-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.84
Rot. Bonds2

About 3-methyl-8-[(1-methylimidazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-methyl-8-[(1-methylimidazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70741145) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-methyl-8-[(1-methylimidazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-methyl-8-[(1-methylimidazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70741145
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-methyl-8-[(1-methylimidazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(Cc3nccn3C)CC2)OC1=O
InChIInChI=1S/C13H20N4O2/c1-15-8-5-14-11(15)9-17-6-3-13(4-7-17)10-16(2)12(18)19-13/h5,8H,3-4,6-7,9-10H2,1-2H3
InChIKeyCJHHNXOSTUMMES-UHFFFAOYSA-N
XLogP0.84
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[(1-methylimidazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-methyl-8-[(1-methylimidazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70741145) is 3-methyl-8-[(1-methylimidazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-methyl-8-[(1-methylimidazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-methyl-8-[(1-methylimidazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN1CC2(CCN(Cc3nccn3C)CC2)OC1=O.
What is the InChIKey of 3-methyl-8-[(1-methylimidazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is CJHHNXOSTUMMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-15-8-5-14-11(15)9-17-6-3-13(4-7-17)10-16(2)12(18)19-13/h5,8H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 3-methyl-8-[(1-methylimidazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-methyl-8-[(1-methylimidazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[(1-methylimidazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70741145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).