1-[(E)-3-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one

C11H19N3O2 — CID 121224081

IUPAC1-[(E)-3-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one
SMILESCCN(/C=C/C(=O)N1CCN(C)C1=O)CC
InChIInChI=1S/C11H19N3O2/c1-4-13(5-2)7-6-10(15)14-9-8-12(3)11(14)16/h6-7H,4-5,8-9H2,1-3H3/b7-6+
InChIKeyPWQWIDBGIXNIGZ-VOTSOKGWSA-N
MW225.29 g/mol
LogP0.74
Rot. Bonds4

About 1-[(E)-3-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one

1-[(E)-3-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one (PubChem CID 121224081) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[(E)-3-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(E)-3-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one
PubChem CID121224081
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[(E)-3-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one
SMILESCCN(/C=C/C(=O)N1CCN(C)C1=O)CC
InChIInChI=1S/C11H19N3O2/c1-4-13(5-2)7-6-10(15)14-9-8-12(3)11(14)16/h6-7H,4-5,8-9H2,1-3H3/b7-6+
InChIKeyPWQWIDBGIXNIGZ-VOTSOKGWSA-N
XLogP0.74
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(E)-3-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[(E)-3-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one (CID 121224081) is 1-[(E)-3-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[(E)-3-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[(E)-3-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one is CCN(/C=C/C(=O)N1CCN(C)C1=O)CC.
What is the InChIKey of 1-[(E)-3-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one?
The InChIKey is PWQWIDBGIXNIGZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-13(5-2)7-6-10(15)14-9-8-12(3)11(14)16/h6-7H,4-5,8-9H2,1-3H3/b7-6+.
What are the key properties of 1-[(E)-3-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one?
1-[(E)-3-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one has a molecular weight of 225.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 121224081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).