1-ethylimidazolidin-2-one;2-methylprop-2-enamide

C9H17N3O2 — CID 66716042

IUPAC1-ethylimidazolidin-2-one;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.CCN1CCNC1=O
InChIInChI=1S/C5H10N2O.C4H7NO/c1-2-7-4-3-6-5(7)8;1-3(2)4(5)6/h2-4H2,1H3,(H,6,8);1H2,2H3,(H2,5,6)
InChIKeyMDDGZQJZVKVVBZ-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.08
Rot. Bonds2

About 1-ethylimidazolidin-2-one;2-methylprop-2-enamide

1-ethylimidazolidin-2-one;2-methylprop-2-enamide (PubChem CID 66716042) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-ethylimidazolidin-2-one;2-methylprop-2-enamide.

Molecular Properties

Compound Name1-ethylimidazolidin-2-one;2-methylprop-2-enamide
PubChem CID66716042
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name1-ethylimidazolidin-2-one;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.CCN1CCNC1=O
InChIInChI=1S/C5H10N2O.C4H7NO/c1-2-7-4-3-6-5(7)8;1-3(2)4(5)6/h2-4H2,1H3,(H,6,8);1H2,2H3,(H2,5,6)
InChIKeyMDDGZQJZVKVVBZ-UHFFFAOYSA-N
XLogP0.08
TPSA75.43 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 ≤ 50.08
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 1-ethylimidazolidin-2-one;2-methylprop-2-enamide?
The IUPAC name of 1-ethylimidazolidin-2-one;2-methylprop-2-enamide (CID 66716042) is 1-ethylimidazolidin-2-one;2-methylprop-2-enamide.
What is the SMILES notation for 1-ethylimidazolidin-2-one;2-methylprop-2-enamide?
The canonical SMILES for 1-ethylimidazolidin-2-one;2-methylprop-2-enamide is C=C(C)C(N)=O.CCN1CCNC1=O.
What is the InChIKey of 1-ethylimidazolidin-2-one;2-methylprop-2-enamide?
The InChIKey is MDDGZQJZVKVVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.C4H7NO/c1-2-7-4-3-6-5(7)8;1-3(2)4(5)6/h2-4H2,1H3,(H,6,8);1H2,2H3,(H2,5,6).
What are the key properties of 1-ethylimidazolidin-2-one;2-methylprop-2-enamide?
1-ethylimidazolidin-2-one;2-methylprop-2-enamide has a molecular weight of 199.25 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylimidazolidin-2-one;2-methylprop-2-enamide is sourced from PubChem (CID 66716042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).