ethane;2-methyl-N-(2-oxoimidazolidin-1-yl)prop-2-enamide

C9H17N3O2 — CID 67316988

IUPACethane;2-methyl-N-(2-oxoimidazolidin-1-yl)prop-2-enamide
SMILESC=C(C)C(=O)NN1CCNC1=O.CC
InChIInChI=1S/C7H11N3O2.C2H6/c1-5(2)6(11)9-10-4-3-8-7(10)12;1-2/h1,3-4H2,2H3,(H,8,12)(H,9,11);1-2H3
InChIKeyYMRXACVUDIDKQO-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.65
Rot. Bonds2

About ethane;2-methyl-N-(2-oxoimidazolidin-1-yl)prop-2-enamide

ethane;2-methyl-N-(2-oxoimidazolidin-1-yl)prop-2-enamide (PubChem CID 67316988) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethane;2-methyl-N-(2-oxoimidazolidin-1-yl)prop-2-enamide.

Molecular Properties

Compound Nameethane;2-methyl-N-(2-oxoimidazolidin-1-yl)prop-2-enamide
PubChem CID67316988
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Nameethane;2-methyl-N-(2-oxoimidazolidin-1-yl)prop-2-enamide
SMILESC=C(C)C(=O)NN1CCNC1=O.CC
InChIInChI=1S/C7H11N3O2.C2H6/c1-5(2)6(11)9-10-4-3-8-7(10)12;1-2/h1,3-4H2,2H3,(H,8,12)(H,9,11);1-2H3
InChIKeyYMRXACVUDIDKQO-UHFFFAOYSA-N
XLogP0.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.65
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 ethane;2-methyl-N-(2-oxoimidazolidin-1-yl)prop-2-enamide?
The IUPAC name of ethane;2-methyl-N-(2-oxoimidazolidin-1-yl)prop-2-enamide (CID 67316988) is ethane;2-methyl-N-(2-oxoimidazolidin-1-yl)prop-2-enamide.
What is the SMILES notation for ethane;2-methyl-N-(2-oxoimidazolidin-1-yl)prop-2-enamide?
The canonical SMILES for ethane;2-methyl-N-(2-oxoimidazolidin-1-yl)prop-2-enamide is C=C(C)C(=O)NN1CCNC1=O.CC.
What is the InChIKey of ethane;2-methyl-N-(2-oxoimidazolidin-1-yl)prop-2-enamide?
The InChIKey is YMRXACVUDIDKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.C2H6/c1-5(2)6(11)9-10-4-3-8-7(10)12;1-2/h1,3-4H2,2H3,(H,8,12)(H,9,11);1-2H3.
What are the key properties of ethane;2-methyl-N-(2-oxoimidazolidin-1-yl)prop-2-enamide?
ethane;2-methyl-N-(2-oxoimidazolidin-1-yl)prop-2-enamide has a molecular weight of 199.25 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-(2-oxoimidazolidin-1-yl)prop-2-enamide is sourced from PubChem (CID 67316988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).