(2-methylimidazolidin-1-yl) acetate

C6H12N2O2 — CID 59912739

IUPAC(2-methylimidazolidin-1-yl) acetate
SMILESCC(=O)ON1CCNC1C
InChIInChI=1S/C6H12N2O2/c1-5-7-3-4-8(5)10-6(2)9/h5,7H,3-4H2,1-2H3
InChIKeyJHJMGKHEZKTPMD-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.28
Rot. Bonds1

About (2-methylimidazolidin-1-yl) acetate

(2-methylimidazolidin-1-yl) acetate (PubChem CID 59912739) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2-methylimidazolidin-1-yl) acetate.

Molecular Properties

Compound Name(2-methylimidazolidin-1-yl) acetate
PubChem CID59912739
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(2-methylimidazolidin-1-yl) acetate
SMILESCC(=O)ON1CCNC1C
InChIInChI=1S/C6H12N2O2/c1-5-7-3-4-8(5)10-6(2)9/h5,7H,3-4H2,1-2H3
InChIKeyJHJMGKHEZKTPMD-UHFFFAOYSA-N
XLogP-0.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylimidazolidin-1-yl) acetate?
The IUPAC name of (2-methylimidazolidin-1-yl) acetate (CID 59912739) is (2-methylimidazolidin-1-yl) acetate.
What is the SMILES notation for (2-methylimidazolidin-1-yl) acetate?
The canonical SMILES for (2-methylimidazolidin-1-yl) acetate is CC(=O)ON1CCNC1C.
What is the InChIKey of (2-methylimidazolidin-1-yl) acetate?
The InChIKey is JHJMGKHEZKTPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-5-7-3-4-8(5)10-6(2)9/h5,7H,3-4H2,1-2H3.
What are the key properties of (2-methylimidazolidin-1-yl) acetate?
(2-methylimidazolidin-1-yl) acetate has a molecular weight of 144.17 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylimidazolidin-1-yl) acetate is sourced from PubChem (CID 59912739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).