1-ethyl-3-(oxan-4-ylmethyl)imidazol-2-one

C11H18N2O2 — CID 116624343

IUPAC1-ethyl-3-(oxan-4-ylmethyl)imidazol-2-one
SMILESCCn1ccn(CC2CCOCC2)c1=O
InChIInChI=1S/C11H18N2O2/c1-2-12-5-6-13(11(12)14)9-10-3-7-15-8-4-10/h5-6,10H,2-4,7-9H2,1H3
InChIKeyNVHLELOUGOBQFI-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.10
Rot. Bonds3

About 1-ethyl-3-(oxan-4-ylmethyl)imidazol-2-one

1-ethyl-3-(oxan-4-ylmethyl)imidazol-2-one (PubChem CID 116624343) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-ethyl-3-(oxan-4-ylmethyl)imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-(oxan-4-ylmethyl)imidazol-2-one
PubChem CID116624343
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-ethyl-3-(oxan-4-ylmethyl)imidazol-2-one
SMILESCCn1ccn(CC2CCOCC2)c1=O
InChIInChI=1S/C11H18N2O2/c1-2-12-5-6-13(11(12)14)9-10-3-7-15-8-4-10/h5-6,10H,2-4,7-9H2,1H3
InChIKeyNVHLELOUGOBQFI-UHFFFAOYSA-N
XLogP1.10
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(oxan-4-ylmethyl)imidazol-2-one?
The IUPAC name of 1-ethyl-3-(oxan-4-ylmethyl)imidazol-2-one (CID 116624343) is 1-ethyl-3-(oxan-4-ylmethyl)imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-(oxan-4-ylmethyl)imidazol-2-one?
The canonical SMILES for 1-ethyl-3-(oxan-4-ylmethyl)imidazol-2-one is CCn1ccn(CC2CCOCC2)c1=O.
What is the InChIKey of 1-ethyl-3-(oxan-4-ylmethyl)imidazol-2-one?
The InChIKey is NVHLELOUGOBQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-12-5-6-13(11(12)14)9-10-3-7-15-8-4-10/h5-6,10H,2-4,7-9H2,1H3.
What are the key properties of 1-ethyl-3-(oxan-4-ylmethyl)imidazol-2-one?
1-ethyl-3-(oxan-4-ylmethyl)imidazol-2-one has a molecular weight of 210.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(oxan-4-ylmethyl)imidazol-2-one is sourced from PubChem (CID 116624343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).