1-(2,2-dimethylpropanoyl)-3-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one

C15H18N2O3S — CID 162656203

IUPAC1-(2,2-dimethylpropanoyl)-3-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)/C=C/c2cccs2)C1=O
InChIInChI=1S/C15H18N2O3S/c1-15(2,3)13(19)17-9-8-16(14(17)20)12(18)7-6-11-5-4-10-21-11/h4-7,10H,8-9H2,1-3H3/b7-6+
InChIKeyBWMYCXAPRMCHCA-VOTSOKGWSA-N
MW306.39 g/mol
LogP2.60
Rot. Bonds2

About 1-(2,2-dimethylpropanoyl)-3-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one

1-(2,2-dimethylpropanoyl)-3-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one (PubChem CID 162656203) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-3-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-3-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one
PubChem CID162656203
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name1-(2,2-dimethylpropanoyl)-3-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)/C=C/c2cccs2)C1=O
InChIInChI=1S/C15H18N2O3S/c1-15(2,3)13(19)17-9-8-16(14(17)20)12(18)7-6-11-5-4-10-21-11/h4-7,10H,8-9H2,1-3H3/b7-6+
InChIKeyBWMYCXAPRMCHCA-VOTSOKGWSA-N
XLogP2.60
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2,2-dimethylpropanoyl)-3-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-3-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one (CID 162656203) is 1-(2,2-dimethylpropanoyl)-3-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-3-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-3-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one is CC(C)(C)C(=O)N1CCN(C(=O)/C=C/c2cccs2)C1=O.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-3-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one?
The InChIKey is BWMYCXAPRMCHCA-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-15(2,3)13(19)17-9-8-16(14(17)20)12(18)7-6-11-5-4-10-21-11/h4-7,10H,8-9H2,1-3H3/b7-6+.
What are the key properties of 1-(2,2-dimethylpropanoyl)-3-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one?
1-(2,2-dimethylpropanoyl)-3-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one has a molecular weight of 306.39 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-3-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one is sourced from PubChem (CID 162656203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).