N-ethyl-2-methyl-3-(2-oxoimidazolidin-1-yl)prop-2-enamide

C9H15N3O2 — CID 66990972

IUPACN-ethyl-2-methyl-3-(2-oxoimidazolidin-1-yl)prop-2-enamide
SMILESCCNC(=O)C(C)=CN1CCNC1=O
InChIInChI=1S/C9H15N3O2/c1-3-10-8(13)7(2)6-12-5-4-11-9(12)14/h6H,3-5H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyUIIQGSSWIFOMGM-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.05
Rot. Bonds3

About N-ethyl-2-methyl-3-(2-oxoimidazolidin-1-yl)prop-2-enamide

N-ethyl-2-methyl-3-(2-oxoimidazolidin-1-yl)prop-2-enamide (PubChem CID 66990972) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-(2-oxoimidazolidin-1-yl)prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-(2-oxoimidazolidin-1-yl)prop-2-enamide
PubChem CID66990972
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-ethyl-2-methyl-3-(2-oxoimidazolidin-1-yl)prop-2-enamide
SMILESCCNC(=O)C(C)=CN1CCNC1=O
InChIInChI=1S/C9H15N3O2/c1-3-10-8(13)7(2)6-12-5-4-11-9(12)14/h6H,3-5H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyUIIQGSSWIFOMGM-UHFFFAOYSA-N
XLogP0.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-(2-oxoimidazolidin-1-yl)prop-2-enamide?
The IUPAC name of N-ethyl-2-methyl-3-(2-oxoimidazolidin-1-yl)prop-2-enamide (CID 66990972) is N-ethyl-2-methyl-3-(2-oxoimidazolidin-1-yl)prop-2-enamide.
What is the SMILES notation for N-ethyl-2-methyl-3-(2-oxoimidazolidin-1-yl)prop-2-enamide?
The canonical SMILES for N-ethyl-2-methyl-3-(2-oxoimidazolidin-1-yl)prop-2-enamide is CCNC(=O)C(C)=CN1CCNC1=O.
What is the InChIKey of N-ethyl-2-methyl-3-(2-oxoimidazolidin-1-yl)prop-2-enamide?
The InChIKey is UIIQGSSWIFOMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-10-8(13)7(2)6-12-5-4-11-9(12)14/h6H,3-5H2,1-2H3,(H,10,13)(H,11,14).
What are the key properties of N-ethyl-2-methyl-3-(2-oxoimidazolidin-1-yl)prop-2-enamide?
N-ethyl-2-methyl-3-(2-oxoimidazolidin-1-yl)prop-2-enamide has a molecular weight of 197.24 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-(2-oxoimidazolidin-1-yl)prop-2-enamide is sourced from PubChem (CID 66990972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).