methyl 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carboxylate

C13H16N2O5 — CID 38828344

IUPACmethyl 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carboxylate
SMILESCOC(=O)c1oc(CN2C(=O)NC(C)(C)C2=O)cc1C
InChIInChI=1S/C13H16N2O5/c1-7-5-8(20-9(7)10(16)19-4)6-15-11(17)13(2,3)14-12(15)18/h5H,6H2,1-4H3,(H,14,18)
InChIKeyRVLNKYAOIDADSV-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.21
Rot. Bonds3

About methyl 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carboxylate

methyl 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carboxylate (PubChem CID 38828344) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is methyl 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carboxylate
PubChem CID38828344
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Namemethyl 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carboxylate
SMILESCOC(=O)c1oc(CN2C(=O)NC(C)(C)C2=O)cc1C
InChIInChI=1S/C13H16N2O5/c1-7-5-8(20-9(7)10(16)19-4)6-15-11(17)13(2,3)14-12(15)18/h5H,6H2,1-4H3,(H,14,18)
InChIKeyRVLNKYAOIDADSV-UHFFFAOYSA-N
XLogP1.21
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 63572055
methyl 3-methyl-5-(piperazin-1-ylmethyl)furan-2-carboxylate
CID 43162328
methyl 5-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-2-methylfuran-3-carboxylate
CID 9401563
methyl 2-methyl-5-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]furan-3-carboxylate
CID 40748417
methyl 5-[[(5S)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]methyl]furan-2-carboxylate
CID 30512388
methyl 5-[[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]methyl]furan-2-carboxylate
CID 30512391
methyl 5-[[4-(2-amino-2-oxoethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carboxylate
CID 71942284
methyl 3-methyl-5-[(3-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylate
CID 71976905
methyl 5-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-3-methylfuran-2-carboxylate
CID 115314384
methyl 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzoate
CID 119052968
methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 3164174
methyl 5-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-3-methylfuran-2-carboxylate
CID 71976926

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carboxylate?
The IUPAC name of methyl 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carboxylate (CID 38828344) is methyl 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carboxylate.
What is the SMILES notation for methyl 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carboxylate?
The canonical SMILES for methyl 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carboxylate is COC(=O)c1oc(CN2C(=O)NC(C)(C)C2=O)cc1C.
What is the InChIKey of methyl 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carboxylate?
The InChIKey is RVLNKYAOIDADSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-7-5-8(20-9(7)10(16)19-4)6-15-11(17)13(2,3)14-12(15)18/h5H,6H2,1-4H3,(H,14,18).
What are the key properties of methyl 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carboxylate?
methyl 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carboxylate has a molecular weight of 280.28 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carboxylate is sourced from PubChem (CID 38828344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).