(3S,4R)-3-ethyl-4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]oxolan-2-one

C11H18N2O2 — CID 86340211

IUPAC(3S,4R)-3-ethyl-4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]oxolan-2-one
SMILESCC[C@@H]1C(=O)OC[C@@H]1CC1=CNCN1C
InChIInChI=1S/C11H18N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,8,10,12H,3-4,6-7H2,1-2H3/t8-,10-/m0/s1
InChIKeySFGONUINBLOYHY-WPRPVWTQSA-N
MW210.28 g/mol
LogP0.91
Rot. Bonds3

About (3S,4R)-3-ethyl-4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]oxolan-2-one

(3S,4R)-3-ethyl-4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]oxolan-2-one (PubChem CID 86340211) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (3S,4R)-3-ethyl-4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]oxolan-2-one.

Molecular Properties

Compound Name(3S,4R)-3-ethyl-4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]oxolan-2-one
PubChem CID86340211
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(3S,4R)-3-ethyl-4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]oxolan-2-one
SMILESCC[C@@H]1C(=O)OC[C@@H]1CC1=CNCN1C
InChIInChI=1S/C11H18N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,8,10,12H,3-4,6-7H2,1-2H3/t8-,10-/m0/s1
InChIKeySFGONUINBLOYHY-WPRPVWTQSA-N
XLogP0.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-ethyl-4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]oxolan-2-one?
The IUPAC name of (3S,4R)-3-ethyl-4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]oxolan-2-one (CID 86340211) is (3S,4R)-3-ethyl-4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]oxolan-2-one.
What is the SMILES notation for (3S,4R)-3-ethyl-4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]oxolan-2-one?
The canonical SMILES for (3S,4R)-3-ethyl-4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]oxolan-2-one is CC[C@@H]1C(=O)OC[C@@H]1CC1=CNCN1C.
What is the InChIKey of (3S,4R)-3-ethyl-4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]oxolan-2-one?
The InChIKey is SFGONUINBLOYHY-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,8,10,12H,3-4,6-7H2,1-2H3/t8-,10-/m0/s1.
What are the key properties of (3S,4R)-3-ethyl-4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]oxolan-2-one?
(3S,4R)-3-ethyl-4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]oxolan-2-one has a molecular weight of 210.28 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-ethyl-4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]oxolan-2-one is sourced from PubChem (CID 86340211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).