formyloxymethyl 3-methylimidazole-4-carboxylate

C7H8N2O4 — CID 87296370

IUPACformyloxymethyl 3-methylimidazole-4-carboxylate
SMILESCn1cncc1C(=O)OCOC=O
InChIInChI=1S/C7H8N2O4/c1-9-3-8-2-6(9)7(11)13-5-12-4-10/h2-4H,5H2,1H3
InChIKeyFOWIHBLXUBOFNM-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.29
Rot. Bonds4

About formyloxymethyl 3-methylimidazole-4-carboxylate

formyloxymethyl 3-methylimidazole-4-carboxylate (PubChem CID 87296370) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is formyloxymethyl 3-methylimidazole-4-carboxylate.

Molecular Properties

Compound Nameformyloxymethyl 3-methylimidazole-4-carboxylate
PubChem CID87296370
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Nameformyloxymethyl 3-methylimidazole-4-carboxylate
SMILESCn1cncc1C(=O)OCOC=O
InChIInChI=1S/C7H8N2O4/c1-9-3-8-2-6(9)7(11)13-5-12-4-10/h2-4H,5H2,1H3
InChIKeyFOWIHBLXUBOFNM-UHFFFAOYSA-N
XLogP-0.29
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-formyloxyethyl 3-methylimidazole-4-carboxylate
CID 87297635
N-(2-methoxyethoxy)-3-methylimidazole-4-carboxamide
CID 103511267
2-(3-methylimidazol-4-yl)-2-oxoacetic acid
CID 82416720
methyl 2-methyl-4-(3-methylimidazol-4-yl)-4-oxobutanoate
CID 66116822
3-methylimidazole-4-carbothioamide
CID 45087891
2-cyclopentyl-1-(3-methylimidazol-4-yl)ethanone
CID 82895199
ethane;ethyl 3-aminoimidazole-4-carboxylate
CID 145329621
3-methyl-N-propylimidazole-4-carboxamide
CID 23552392
[3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103512267
N,N-bis(2-chloroethyl)-3-methylimidazole-4-carboxamide
CID 103511157
4-(3-methylimidazol-4-yl)but-3-enamide
CID 170797294
2-methyl-3-[methyl-(3-methylimidazole-4-carbonyl)amino]propanoic acid
CID 103510498

Frequently Asked Questions

What is the IUPAC name of formyloxymethyl 3-methylimidazole-4-carboxylate?
The IUPAC name of formyloxymethyl 3-methylimidazole-4-carboxylate (CID 87296370) is formyloxymethyl 3-methylimidazole-4-carboxylate.
What is the SMILES notation for formyloxymethyl 3-methylimidazole-4-carboxylate?
The canonical SMILES for formyloxymethyl 3-methylimidazole-4-carboxylate is Cn1cncc1C(=O)OCOC=O.
What is the InChIKey of formyloxymethyl 3-methylimidazole-4-carboxylate?
The InChIKey is FOWIHBLXUBOFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-9-3-8-2-6(9)7(11)13-5-12-4-10/h2-4H,5H2,1H3.
What are the key properties of formyloxymethyl 3-methylimidazole-4-carboxylate?
formyloxymethyl 3-methylimidazole-4-carboxylate has a molecular weight of 184.15 g/mol, XLogP of -0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formyloxymethyl 3-methylimidazole-4-carboxylate is sourced from PubChem (CID 87296370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).