1-ethyl-2-(oxetan-3-yloxymethyl)-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one

C14H20N2O3 — CID 121458034

IUPAC1-ethyl-2-(oxetan-3-yloxymethyl)-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one
SMILESCCn1c(COC2COC2)nc2c1CCCCC2=O
InChIInChI=1S/C14H20N2O3/c1-2-16-11-5-3-4-6-12(17)14(11)15-13(16)9-19-10-7-18-8-10/h10H,2-9H2,1H3
InChIKeyUFVGWJAYPMWQQD-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.73
Rot. Bonds4

About 1-ethyl-2-(oxetan-3-yloxymethyl)-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one

1-ethyl-2-(oxetan-3-yloxymethyl)-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one (PubChem CID 121458034) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-ethyl-2-(oxetan-3-yloxymethyl)-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one.

Molecular Properties

Compound Name1-ethyl-2-(oxetan-3-yloxymethyl)-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one
PubChem CID121458034
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-ethyl-2-(oxetan-3-yloxymethyl)-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one
SMILESCCn1c(COC2COC2)nc2c1CCCCC2=O
InChIInChI=1S/C14H20N2O3/c1-2-16-11-5-3-4-6-12(17)14(11)15-13(16)9-19-10-7-18-8-10/h10H,2-9H2,1H3
InChIKeyUFVGWJAYPMWQQD-UHFFFAOYSA-N
XLogP1.73
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(oxetan-3-yloxymethyl)-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one?
The IUPAC name of 1-ethyl-2-(oxetan-3-yloxymethyl)-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one (CID 121458034) is 1-ethyl-2-(oxetan-3-yloxymethyl)-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one.
What is the SMILES notation for 1-ethyl-2-(oxetan-3-yloxymethyl)-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one?
The canonical SMILES for 1-ethyl-2-(oxetan-3-yloxymethyl)-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one is CCn1c(COC2COC2)nc2c1CCCCC2=O.
What is the InChIKey of 1-ethyl-2-(oxetan-3-yloxymethyl)-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one?
The InChIKey is UFVGWJAYPMWQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-16-11-5-3-4-6-12(17)14(11)15-13(16)9-19-10-7-18-8-10/h10H,2-9H2,1H3.
What are the key properties of 1-ethyl-2-(oxetan-3-yloxymethyl)-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one?
1-ethyl-2-(oxetan-3-yloxymethyl)-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one has a molecular weight of 264.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(oxetan-3-yloxymethyl)-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one is sourced from PubChem (CID 121458034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).