imidazol-1-yl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate

C9H8N2O6 — CID 56949259

IUPACimidazol-1-yl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate
SMILESCc1oc(=O)oc1COC(=O)On1ccnc1
InChIInChI=1S/C9H8N2O6/c1-6-7(16-9(13)15-6)4-14-8(12)17-11-3-2-10-5-11/h2-3,5H,4H2,1H3
InChIKeyDPVMIRKAHAYSEH-UHFFFAOYSA-N
MW240.17 g/mol
LogP0.50
Rot. Bonds3

About imidazol-1-yl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate

imidazol-1-yl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate (PubChem CID 56949259) has the molecular formula C9H8N2O6 and a molecular weight of 240.17 g/mol. Its IUPAC name is imidazol-1-yl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate.

Molecular Properties

Compound Nameimidazol-1-yl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate
PubChem CID56949259
Molecular FormulaC9H8N2O6
Molecular Weight240.17 g/mol
Exact Mass240.04
IUPAC Nameimidazol-1-yl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate
SMILESCc1oc(=O)oc1COC(=O)On1ccnc1
InChIInChI=1S/C9H8N2O6/c1-6-7(16-9(13)15-6)4-14-8(12)17-11-3-2-10-5-11/h2-3,5H,4H2,1H3
InChIKeyDPVMIRKAHAYSEH-UHFFFAOYSA-N
XLogP0.50
TPSA96.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze imidazol-1-yl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl imidazol-1-yl carbonate
CID 174735954
methyl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate
CID 164575426
(E)-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-4-oxobut-2-enoic acid
CID 122499741
4-(1-chloroprop-1-enoxymethyl)-5-methyl-1,3-dioxol-2-one
CID 118882291
imidazol-1-yl 2-piperidin-1-ylethyl carbonate
CID 174985112
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-acetyloxy-2-methylpropanoate
CID 162724657
imidazol-1-yl 2-butylhexanoate
CID 174655317
(2S)-2-imidazol-1-yloxycarbonyl-3-methylbutanoic acid
CID 67801595
1-O-[2-(2,4-dioxo-1H-pyrimidin-6-yl)ethyl] 4-O-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl] (E)-but-2-enedioate
CID 122607115
imidazol-1-yl tetradecanoate
CID 175546759
imidazol-1-yl hexanoate;iron
CID 175419360
imidazol-1-yl heptanoate
CID 175410491

Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate?
The IUPAC name of imidazol-1-yl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate (CID 56949259) is imidazol-1-yl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate.
What is the SMILES notation for imidazol-1-yl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate?
The canonical SMILES for imidazol-1-yl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate is Cc1oc(=O)oc1COC(=O)On1ccnc1.
What is the InChIKey of imidazol-1-yl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate?
The InChIKey is DPVMIRKAHAYSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O6/c1-6-7(16-9(13)15-6)4-14-8(12)17-11-3-2-10-5-11/h2-3,5H,4H2,1H3.
What are the key properties of imidazol-1-yl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate?
imidazol-1-yl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate has a molecular weight of 240.17 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate is sourced from PubChem (CID 56949259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).