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

C10H10N2O2S — CID 162648993

IUPAC1-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one
SMILESO=C(/C=C/c1cccs1)N1CCNC1=O
InChIInChI=1S/C10H10N2O2S/c13-9(12-6-5-11-10(12)14)4-3-8-2-1-7-15-8/h1-4,7H,5-6H2,(H,11,14)/b4-3+
InChIKeyJHMXQDKAUQWXOW-ONEGZZNKSA-N
MW222.27 g/mol
LogP1.31
Rot. Bonds2

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

1-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one (PubChem CID 162648993) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one
PubChem CID162648993
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name1-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one
SMILESO=C(/C=C/c1cccs1)N1CCNC1=O
InChIInChI=1S/C10H10N2O2S/c13-9(12-6-5-11-10(12)14)4-3-8-2-1-7-15-8/h1-4,7H,5-6H2,(H,11,14)/b4-3+
InChIKeyJHMXQDKAUQWXOW-ONEGZZNKSA-N
XLogP1.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(4-methylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide
CID 934100
3-Ethyl-1-methyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 2181114
(E)-N-(4-ethylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide
CID 2084095
(E)-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide
CID 2413117
N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 2385929
(E)-3-(2-thienyl)-N-[2-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180429
5-(2-Thienylmethylene)-2,4-imidazolidinedione
CID 6508822
3-Cyclopropyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 1798503
3-Isobutyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5411556
(E)-N-ethyl-3-thiophen-2-ylprop-2-enamide
CID 5898676
1-[2-(Thiophen-2-yl)ethyl]imidazolidine-2,4,5-trione
CID 4962430
2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N,N-diethylacetamide
CID 43004769

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one?
The IUPAC name of 1-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one (CID 162648993) is 1-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one is O=C(/C=C/c1cccs1)N1CCNC1=O.
What is the InChIKey of 1-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one?
The InChIKey is JHMXQDKAUQWXOW-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H10N2O2S/c13-9(12-6-5-11-10(12)14)4-3-8-2-1-7-15-8/h1-4,7H,5-6H2,(H,11,14)/b4-3+.
What are the key properties of 1-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one?
1-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one has a molecular weight of 222.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one is sourced from PubChem (CID 162648993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).