(2-acetyl-5-acetyloxyimidazolidin-4-yl) acetate

C9H14N2O5 — CID 70355898

IUPAC(2-acetyl-5-acetyloxyimidazolidin-4-yl) acetate
SMILESCC(=O)OC1NC(C(C)=O)NC1OC(C)=O
InChIInChI=1S/C9H14N2O5/c1-4(12)7-10-8(15-5(2)13)9(11-7)16-6(3)14/h7-11H,1-3H3
InChIKeyKRBVAYSUILSSIK-UHFFFAOYSA-N
MW230.22 g/mol
LogP-1.13
Rot. Bonds3

About (2-acetyl-5-acetyloxyimidazolidin-4-yl) acetate

(2-acetyl-5-acetyloxyimidazolidin-4-yl) acetate (PubChem CID 70355898) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is (2-acetyl-5-acetyloxyimidazolidin-4-yl) acetate.

Molecular Properties

Compound Name(2-acetyl-5-acetyloxyimidazolidin-4-yl) acetate
PubChem CID70355898
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name(2-acetyl-5-acetyloxyimidazolidin-4-yl) acetate
SMILESCC(=O)OC1NC(C(C)=O)NC1OC(C)=O
InChIInChI=1S/C9H14N2O5/c1-4(12)7-10-8(15-5(2)13)9(11-7)16-6(3)14/h7-11H,1-3H3
InChIKeyKRBVAYSUILSSIK-UHFFFAOYSA-N
XLogP-1.13
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-acetyl-5-acetyloxyimidazolidin-4-yl) acetate?
The IUPAC name of (2-acetyl-5-acetyloxyimidazolidin-4-yl) acetate (CID 70355898) is (2-acetyl-5-acetyloxyimidazolidin-4-yl) acetate.
What is the SMILES notation for (2-acetyl-5-acetyloxyimidazolidin-4-yl) acetate?
The canonical SMILES for (2-acetyl-5-acetyloxyimidazolidin-4-yl) acetate is CC(=O)OC1NC(C(C)=O)NC1OC(C)=O.
What is the InChIKey of (2-acetyl-5-acetyloxyimidazolidin-4-yl) acetate?
The InChIKey is KRBVAYSUILSSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5/c1-4(12)7-10-8(15-5(2)13)9(11-7)16-6(3)14/h7-11H,1-3H3.
What are the key properties of (2-acetyl-5-acetyloxyimidazolidin-4-yl) acetate?
(2-acetyl-5-acetyloxyimidazolidin-4-yl) acetate has a molecular weight of 230.22 g/mol, XLogP of -1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyl-5-acetyloxyimidazolidin-4-yl) acetate is sourced from PubChem (CID 70355898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).