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

C11H19N3O2 — CID 21160491

IUPAC1-[2-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one
SMILESC=C(C(=O)N1CCN(C)C1=O)N(CC)CC
InChIInChI=1S/C11H19N3O2/c1-5-13(6-2)9(3)10(15)14-8-7-12(4)11(14)16/h3,5-8H2,1-2,4H3
InChIKeyUDFBCRRQHNWEGK-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.74
Rot. Bonds4

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

1-[2-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one (PubChem CID 21160491) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[2-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one
PubChem CID21160491
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[2-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one
SMILESC=C(C(=O)N1CCN(C)C1=O)N(CC)CC
InChIInChI=1S/C11H19N3O2/c1-5-13(6-2)9(3)10(15)14-8-7-12(4)11(14)16/h3,5-8H2,1-2,4H3
InChIKeyUDFBCRRQHNWEGK-UHFFFAOYSA-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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Related Compounds

N,N-diethyl-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 115641411
1,3-dimethylimidazolidin-2-one;hydrate
CID 68782599
N,N-diethyl-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 67938930
1-(2-bromoprop-2-enyl)-3-methylimidazolidin-2-one
CID 130674408
2-[ethyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]acetic acid
CID 63778095
N,N-diethyl-2-(1-ethyl-2-oxopyrrolidin-3-yl)prop-2-enamide
CID 139820161
methyl 2-(diethylamino)prop-2-enoate
CID 14744312
N-methyl-N-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]acetamide
CID 123967088
1-methyl-3-(3-oxopentan-2-yl)imidazolidin-2-one
CID 64867372
1-(2-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide
CID 86870567
but-2-ene;1,3-dimethylimidazolidin-2-one;urea
CID 162037116
N,3-dimethyl-2-oxo-1,3-diazinane-1-carboxamide;ethane
CID 142186960

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[2-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one (CID 21160491) is 1-[2-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[2-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[2-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one is C=C(C(=O)N1CCN(C)C1=O)N(CC)CC.
What is the InChIKey of 1-[2-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one?
The InChIKey is UDFBCRRQHNWEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-13(6-2)9(3)10(15)14-8-7-12(4)11(14)16/h3,5-8H2,1-2,4H3.
What are the key properties of 1-[2-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one?
1-[2-(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-[2-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 21160491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).