methyl 5-(3-methoxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate

C9H14N2O4 — CID 117225302

IUPACmethyl 5-(3-methoxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate
SMILESCOCCCc1[nH]c(=O)[nH]c1C(=O)OC
InChIInChI=1S/C9H14N2O4/c1-14-5-3-4-6-7(8(12)15-2)11-9(13)10-6/h3-5H2,1-2H3,(H2,10,11,13)
InChIKeyULBRHKAATRWUMH-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.07
Rot. Bonds5

About methyl 5-(3-methoxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate

methyl 5-(3-methoxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate (PubChem CID 117225302) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 5-(3-methoxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-methoxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate
PubChem CID117225302
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Namemethyl 5-(3-methoxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate
SMILESCOCCCc1[nH]c(=O)[nH]c1C(=O)OC
InChIInChI=1S/C9H14N2O4/c1-14-5-3-4-6-7(8(12)15-2)11-9(13)10-6/h3-5H2,1-2H3,(H2,10,11,13)
InChIKeyULBRHKAATRWUMH-UHFFFAOYSA-N
XLogP0.07
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-(2-methylpropyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate
CID 117225155
methyl 2-oxo-5-(2-piperidin-1-ylethyl)-1,3-dihydroimidazole-4-carboxylate
CID 117225277
triethyl-[(5-methoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl]azanium
CID 20510900
methyl 5-(3-hydroxypropyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
CID 117225305
methyl 5-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
CID 117225123
ethane;methyl 5-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 170711792
methyl 5-ethyl-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
CID 117225161
methyl 5-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619032
(5-acetyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl acetate
CID 70463911
5-(bromomethyl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 20510970
dimethyl 3,4-bis(2,2,2-trifluoroethyl)-1H-pyrrole-2,5-dicarboxylate
CID 3573953
methyl 5-(3-methoxypropyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 126482957

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-methoxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The IUPAC name of methyl 5-(3-methoxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate (CID 117225302) is methyl 5-(3-methoxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-(3-methoxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The canonical SMILES for methyl 5-(3-methoxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate is COCCCc1[nH]c(=O)[nH]c1C(=O)OC.
What is the InChIKey of methyl 5-(3-methoxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The InChIKey is ULBRHKAATRWUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-14-5-3-4-6-7(8(12)15-2)11-9(13)10-6/h3-5H2,1-2H3,(H2,10,11,13).
What are the key properties of methyl 5-(3-methoxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate?
methyl 5-(3-methoxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate has a molecular weight of 214.22 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-methoxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate is sourced from PubChem (CID 117225302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).