2-imidazolidin-1-ylethyl acetate

C7H14N2O2 — CID 54549940

IUPAC2-imidazolidin-1-ylethyl acetate
SMILESCC(=O)OCCN1CCNC1
InChIInChI=1S/C7H14N2O2/c1-7(10)11-5-4-9-3-2-8-6-9/h8H,2-6H2,1H3
InChIKeyCUDBYKDHHVYKFG-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.59
Rot. Bonds3

About 2-imidazolidin-1-ylethyl acetate

2-imidazolidin-1-ylethyl acetate (PubChem CID 54549940) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-imidazolidin-1-ylethyl acetate.

Molecular Properties

Compound Name2-imidazolidin-1-ylethyl acetate
PubChem CID54549940
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-imidazolidin-1-ylethyl acetate
SMILESCC(=O)OCCN1CCNC1
InChIInChI=1S/C7H14N2O2/c1-7(10)11-5-4-9-3-2-8-6-9/h8H,2-6H2,1H3
InChIKeyCUDBYKDHHVYKFG-UHFFFAOYSA-N
XLogP-0.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazolidin-1-ylethyl acetate?
The IUPAC name of 2-imidazolidin-1-ylethyl acetate (CID 54549940) is 2-imidazolidin-1-ylethyl acetate.
What is the SMILES notation for 2-imidazolidin-1-ylethyl acetate?
The canonical SMILES for 2-imidazolidin-1-ylethyl acetate is CC(=O)OCCN1CCNC1.
What is the InChIKey of 2-imidazolidin-1-ylethyl acetate?
The InChIKey is CUDBYKDHHVYKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-7(10)11-5-4-9-3-2-8-6-9/h8H,2-6H2,1H3.
What are the key properties of 2-imidazolidin-1-ylethyl acetate?
2-imidazolidin-1-ylethyl acetate has a molecular weight of 158.20 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazolidin-1-ylethyl acetate is sourced from PubChem (CID 54549940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).