1,3-dimethylimidazol-2-one;ethane

C7H14N2O — CID 91365794

IUPAC1,3-dimethylimidazol-2-one;ethane
SMILESCC.Cn1ccn(C)c1=O
InChIInChI=1S/C5H8N2O.C2H6/c1-6-3-4-7(2)5(6)8;1-2/h3-4H,1-2H3;1-2H3
InChIKeyHCPYTFVYTHJVMM-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.75
Rot. Bonds

About 1,3-dimethylimidazol-2-one;ethane

1,3-dimethylimidazol-2-one;ethane (PubChem CID 91365794) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1,3-dimethylimidazol-2-one;ethane.

Molecular Properties

Compound Name1,3-dimethylimidazol-2-one;ethane
PubChem CID91365794
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1,3-dimethylimidazol-2-one;ethane
SMILESCC.Cn1ccn(C)c1=O
InChIInChI=1S/C5H8N2O.C2H6/c1-6-3-4-7(2)5(6)8;1-2/h3-4H,1-2H3;1-2H3
InChIKeyHCPYTFVYTHJVMM-UHFFFAOYSA-N
XLogP0.75
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2,3-dihydro-1H-imidazol-2-one
CID 566589
1,3-Dimethyl-2-imidazolone
CID 6933312
Divinyl urea
CID 23500969
1,3-Bis(ethenyl)imidazol-2-one
CID 45087691
4-Hydroxy-1,3-dimethylimidazol-2-one
CID 53710444
1,3-Dimethylimidazolium carboxylate
CID 89823013
1,1,3-trimethyl-3-[(E)-prop-1-enyl]urea
CID 90473859
4-Fluoro-1,3-dimethylimidazol-2-one
CID 152172525
1-Ethyl-3-(2-fluoroethyl)imidazol-2-one
CID 116624320
1-(Difluoromethyl)-3-methylimidazol-2-one
CID 116624501
1-(2-Fluoroethyl)-3-methylimidazol-2-one
CID 116624561
1-Methyl-3-hydroxymethyl-4-imidazolin-2-one
CID 14245714

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylimidazol-2-one;ethane?
The IUPAC name of 1,3-dimethylimidazol-2-one;ethane (CID 91365794) is 1,3-dimethylimidazol-2-one;ethane.
What is the SMILES notation for 1,3-dimethylimidazol-2-one;ethane?
The canonical SMILES for 1,3-dimethylimidazol-2-one;ethane is CC.Cn1ccn(C)c1=O.
What is the InChIKey of 1,3-dimethylimidazol-2-one;ethane?
The InChIKey is HCPYTFVYTHJVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.C2H6/c1-6-3-4-7(2)5(6)8;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of 1,3-dimethylimidazol-2-one;ethane?
1,3-dimethylimidazol-2-one;ethane has a molecular weight of 142.20 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylimidazol-2-one;ethane is sourced from PubChem (CID 91365794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).