(2,3-dimethylimidazolidin-1-yl)methyl acetate

C8H16N2O2 — CID 141155590

IUPAC(2,3-dimethylimidazolidin-1-yl)methyl acetate
SMILESCC(=O)OCN1CCN(C)C1C
InChIInChI=1S/C8H16N2O2/c1-7-9(3)4-5-10(7)6-12-8(2)11/h7H,4-6H2,1-3H3
InChIKeyJMMMNEIQFBFNDV-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.10
Rot. Bonds2

About (2,3-dimethylimidazolidin-1-yl)methyl acetate

(2,3-dimethylimidazolidin-1-yl)methyl acetate (PubChem CID 141155590) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (2,3-dimethylimidazolidin-1-yl)methyl acetate.

Molecular Properties

Compound Name(2,3-dimethylimidazolidin-1-yl)methyl acetate
PubChem CID141155590
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(2,3-dimethylimidazolidin-1-yl)methyl acetate
SMILESCC(=O)OCN1CCN(C)C1C
InChIInChI=1S/C8H16N2O2/c1-7-9(3)4-5-10(7)6-12-8(2)11/h7H,4-6H2,1-3H3
InChIKeyJMMMNEIQFBFNDV-UHFFFAOYSA-N
XLogP0.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylimidazolidin-1-yl)methyl acetate?
The IUPAC name of (2,3-dimethylimidazolidin-1-yl)methyl acetate (CID 141155590) is (2,3-dimethylimidazolidin-1-yl)methyl acetate.
What is the SMILES notation for (2,3-dimethylimidazolidin-1-yl)methyl acetate?
The canonical SMILES for (2,3-dimethylimidazolidin-1-yl)methyl acetate is CC(=O)OCN1CCN(C)C1C.
What is the InChIKey of (2,3-dimethylimidazolidin-1-yl)methyl acetate?
The InChIKey is JMMMNEIQFBFNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7-9(3)4-5-10(7)6-12-8(2)11/h7H,4-6H2,1-3H3.
What are the key properties of (2,3-dimethylimidazolidin-1-yl)methyl acetate?
(2,3-dimethylimidazolidin-1-yl)methyl acetate has a molecular weight of 172.23 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylimidazolidin-1-yl)methyl acetate is sourced from PubChem (CID 141155590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).