2-(2-aminoethyl)-5-methylimidazol-4-one

C6H9N3O — CID 67653693

IUPAC2-(2-aminoethyl)-5-methylimidazol-4-one
SMILESCC1=NC(CCN)=NC1=O
InChIInChI=1S/C6H9N3O/c1-4-6(10)9-5(8-4)2-3-7/h2-3,7H2,1H3
InChIKeyMFXMWENGBLMIIH-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.27
Rot. Bonds2

About 2-(2-aminoethyl)-5-methylimidazol-4-one

2-(2-aminoethyl)-5-methylimidazol-4-one (PubChem CID 67653693) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-methylimidazol-4-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-methylimidazol-4-one
PubChem CID67653693
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-(2-aminoethyl)-5-methylimidazol-4-one
SMILESCC1=NC(CCN)=NC1=O
InChIInChI=1S/C6H9N3O/c1-4-6(10)9-5(8-4)2-3-7/h2-3,7H2,1H3
InChIKeyMFXMWENGBLMIIH-UHFFFAOYSA-N
XLogP-0.27
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-methylimidazol-4-one?
The IUPAC name of 2-(2-aminoethyl)-5-methylimidazol-4-one (CID 67653693) is 2-(2-aminoethyl)-5-methylimidazol-4-one.
What is the SMILES notation for 2-(2-aminoethyl)-5-methylimidazol-4-one?
The canonical SMILES for 2-(2-aminoethyl)-5-methylimidazol-4-one is CC1=NC(CCN)=NC1=O.
What is the InChIKey of 2-(2-aminoethyl)-5-methylimidazol-4-one?
The InChIKey is MFXMWENGBLMIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4-6(10)9-5(8-4)2-3-7/h2-3,7H2,1H3.
What are the key properties of 2-(2-aminoethyl)-5-methylimidazol-4-one?
2-(2-aminoethyl)-5-methylimidazol-4-one has a molecular weight of 139.16 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-methylimidazol-4-one is sourced from PubChem (CID 67653693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).