3-ethyl-3-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one

C11H16N2O2 — CID 67840036

IUPAC3-ethyl-3-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one
SMILESCCC1(C)C(=O)OCC1c1cncn1C
InChIInChI=1S/C11H16N2O2/c1-4-11(2)8(6-15-10(11)14)9-5-12-7-13(9)3/h5,7-8H,4,6H2,1-3H3
InChIKeyRWBZTVSNSCXKMG-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.48
Rot. Bonds2

About 3-ethyl-3-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one

3-ethyl-3-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one (PubChem CID 67840036) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-ethyl-3-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one.

Molecular Properties

Compound Name3-ethyl-3-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one
PubChem CID67840036
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-ethyl-3-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one
SMILESCCC1(C)C(=O)OCC1c1cncn1C
InChIInChI=1S/C11H16N2O2/c1-4-11(2)8(6-15-10(11)14)9-5-12-7-13(9)3/h5,7-8H,4,6H2,1-3H3
InChIKeyRWBZTVSNSCXKMG-UHFFFAOYSA-N
XLogP1.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pilocarpine
CID 5910
Pilocarpine Hydrochloride
CID 5909
Pilocarpine Nitrate
CID 657349
2(3H)-Furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S-cis)-
CID 4819
Isopilocarpine hydrochloride
CID 10285971
(+)-Isopilocarpine
CID 91468
(-)-Pilocarpine
CID 307957
Pilosinine
CID 12314275
Isopilocarpine nitrate
CID 94315
(2S)-5-azaniumyl-2-[(1-propylimidazol-4-yl)methyl]pentanoate
CID 24916881
Pilocarbine
CID 44309527
5-(4-Ethyl-tetrahydro-furan-3-ylmethyl)-1-methyl-1H-imidazole
CID 44323857

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one?
The IUPAC name of 3-ethyl-3-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one (CID 67840036) is 3-ethyl-3-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one.
What is the SMILES notation for 3-ethyl-3-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one?
The canonical SMILES for 3-ethyl-3-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one is CCC1(C)C(=O)OCC1c1cncn1C.
What is the InChIKey of 3-ethyl-3-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one?
The InChIKey is RWBZTVSNSCXKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-4-11(2)8(6-15-10(11)14)9-5-12-7-13(9)3/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 3-ethyl-3-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one?
3-ethyl-3-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one has a molecular weight of 208.26 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one is sourced from PubChem (CID 67840036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).