4-[5-(ethylaminomethyl)imidazol-1-yl]pyrrolidin-2-one

C10H16N4O — CID 106186435

IUPAC4-[5-(ethylaminomethyl)imidazol-1-yl]pyrrolidin-2-one
SMILESCCNCc1cncn1C1CNC(=O)C1
InChIInChI=1S/C10H16N4O/c1-2-11-4-9-5-12-7-14(9)8-3-10(15)13-6-8/h5,7-8,11H,2-4,6H2,1H3,(H,13,15)
InChIKeyOJJWGGUDMHRRMV-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.05
Rot. Bonds4

About 4-[5-(ethylaminomethyl)imidazol-1-yl]pyrrolidin-2-one

4-[5-(ethylaminomethyl)imidazol-1-yl]pyrrolidin-2-one (PubChem CID 106186435) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-[5-(ethylaminomethyl)imidazol-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[5-(ethylaminomethyl)imidazol-1-yl]pyrrolidin-2-one
PubChem CID106186435
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-[5-(ethylaminomethyl)imidazol-1-yl]pyrrolidin-2-one
SMILESCCNCc1cncn1C1CNC(=O)C1
InChIInChI=1S/C10H16N4O/c1-2-11-4-9-5-12-7-14(9)8-3-10(15)13-6-8/h5,7-8,11H,2-4,6H2,1H3,(H,13,15)
InChIKeyOJJWGGUDMHRRMV-UHFFFAOYSA-N
XLogP0.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(ethylaminomethyl)imidazol-1-yl]pyrrolidin-2-one?
The IUPAC name of 4-[5-(ethylaminomethyl)imidazol-1-yl]pyrrolidin-2-one (CID 106186435) is 4-[5-(ethylaminomethyl)imidazol-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-[5-(ethylaminomethyl)imidazol-1-yl]pyrrolidin-2-one?
The canonical SMILES for 4-[5-(ethylaminomethyl)imidazol-1-yl]pyrrolidin-2-one is CCNCc1cncn1C1CNC(=O)C1.
What is the InChIKey of 4-[5-(ethylaminomethyl)imidazol-1-yl]pyrrolidin-2-one?
The InChIKey is OJJWGGUDMHRRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-11-4-9-5-12-7-14(9)8-3-10(15)13-6-8/h5,7-8,11H,2-4,6H2,1H3,(H,13,15).
What are the key properties of 4-[5-(ethylaminomethyl)imidazol-1-yl]pyrrolidin-2-one?
4-[5-(ethylaminomethyl)imidazol-1-yl]pyrrolidin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(ethylaminomethyl)imidazol-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 106186435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).