3-(3-methylbut-2-enyl)-1H-imidazol-2-one

C8H12N2O — CID 57284535

IUPAC3-(3-methylbut-2-enyl)-1H-imidazol-2-one
SMILESCC(C)=CCn1cc[nH]c1=O
InChIInChI=1S/C8H12N2O/c1-7(2)3-5-10-6-4-9-8(10)11/h3-4,6H,5H2,1-2H3,(H,9,11)
InChIKeyUEPHOAUDJXLZIU-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.14
Rot. Bonds2

About 3-(3-methylbut-2-enyl)-1H-imidazol-2-one

3-(3-methylbut-2-enyl)-1H-imidazol-2-one (PubChem CID 57284535) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-(3-methylbut-2-enyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(3-methylbut-2-enyl)-1H-imidazol-2-one
PubChem CID57284535
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-(3-methylbut-2-enyl)-1H-imidazol-2-one
SMILESCC(C)=CCn1cc[nH]c1=O
InChIInChI=1S/C8H12N2O/c1-7(2)3-5-10-6-4-9-8(10)11/h3-4,6H,5H2,1-2H3,(H,9,11)
InChIKeyUEPHOAUDJXLZIU-UHFFFAOYSA-N
XLogP1.14
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyldihydro-2-pyrimidinone
CID 23121765
Ethyl 3,4-dihydropyrimidinone
CID 67592206
N-methylcarbamoylpyridine
CID 129798221
1-Allyl-1,3-dihydro-imidazol-2-one
CID 45158702
3-Methyl-1,4-dihydropyrimidin-2-one
CID 55287187
3-(Dimethylamino)prop-2-enylurea
CID 57353459
3-Ethyl-1,6-dihydropyrimidin-2-one
CID 67592208
1,3-Bis(ethenyl)-1-prop-2-enylurea
CID 88606754
1-[(Z)-prop-1-enyl]-3-prop-2-enylurea
CID 89197256
3-(3-Methylbut-2-enyl)-1,2-dihydroimidazole
CID 90728024
N,4-dimethyl-2H-pyridine-1-carboxamide
CID 91236671
1-ethyl-3-methyl-1-[(E)-prop-1-enyl]urea
CID 129229779

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-2-enyl)-1H-imidazol-2-one?
The IUPAC name of 3-(3-methylbut-2-enyl)-1H-imidazol-2-one (CID 57284535) is 3-(3-methylbut-2-enyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(3-methylbut-2-enyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(3-methylbut-2-enyl)-1H-imidazol-2-one is CC(C)=CCn1cc[nH]c1=O.
What is the InChIKey of 3-(3-methylbut-2-enyl)-1H-imidazol-2-one?
The InChIKey is UEPHOAUDJXLZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-7(2)3-5-10-6-4-9-8(10)11/h3-4,6H,5H2,1-2H3,(H,9,11).
What are the key properties of 3-(3-methylbut-2-enyl)-1H-imidazol-2-one?
3-(3-methylbut-2-enyl)-1H-imidazol-2-one has a molecular weight of 152.20 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-2-enyl)-1H-imidazol-2-one is sourced from PubChem (CID 57284535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).