methyl hydrogen carbonate;1-prop-1-en-2-ylimidazole

C8H12N2O3 — CID 174740575

IUPACmethyl hydrogen carbonate;1-prop-1-en-2-ylimidazole
SMILESC=C(C)n1ccnc1.COC(=O)O
InChIInChI=1S/C6H8N2.C2H4O3/c1-6(2)8-4-3-7-5-8;1-5-2(3)4/h3-5H,1H2,2H3;1H3,(H,3,4)
InChIKeyYHHTUFKGRUGBJE-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.68
Rot. Bonds1

About methyl hydrogen carbonate;1-prop-1-en-2-ylimidazole

methyl hydrogen carbonate;1-prop-1-en-2-ylimidazole (PubChem CID 174740575) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is methyl hydrogen carbonate;1-prop-1-en-2-ylimidazole.

Molecular Properties

Compound Namemethyl hydrogen carbonate;1-prop-1-en-2-ylimidazole
PubChem CID174740575
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Namemethyl hydrogen carbonate;1-prop-1-en-2-ylimidazole
SMILESC=C(C)n1ccnc1.COC(=O)O
InChIInChI=1S/C6H8N2.C2H4O3/c1-6(2)8-4-3-7-5-8;1-5-2(3)4/h3-5H,1H2,2H3;1H3,(H,3,4)
InChIKeyYHHTUFKGRUGBJE-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

buta-1,3-diene;ethane;1-imidazol-1-ylethanone
CID 143773294
2-(imidazole-1-carbonylamino)ethyl 2-methylprop-2-enoate
CID 67424696
3-(imidazole-1-carbonylamino)-2-methylidenebutanoic acid
CID 175030906
1-butan-2-ylimidazole;methyl hydrogen carbonate
CID 174740697
2-methoxyethyl imidazole-1-carboxylate
CID 10583275
(2-amino-3-imidazol-1-yl-3-oxopropyl) 2-methylprop-2-enoate
CID 67459415
1-(1-fluoroethenyl)imidazole
CID 174960352
N-ethoxyimidazole-1-carboxamide
CID 71385822
S-methyl imidazole-1-carbothioate
CID 59105486
1-(1-ethoxyethenyl)imidazole
CID 174806747
N-(5-acetamido-2-methoxyphenyl)imidazole-1-carboxamide
CID 81258005
di(imidazol-1-yl)methanone;1,3-dimethylurea;methanamine;methane
CID 159445529

Frequently Asked Questions

What is the IUPAC name of methyl hydrogen carbonate;1-prop-1-en-2-ylimidazole?
The IUPAC name of methyl hydrogen carbonate;1-prop-1-en-2-ylimidazole (CID 174740575) is methyl hydrogen carbonate;1-prop-1-en-2-ylimidazole.
What is the SMILES notation for methyl hydrogen carbonate;1-prop-1-en-2-ylimidazole?
The canonical SMILES for methyl hydrogen carbonate;1-prop-1-en-2-ylimidazole is C=C(C)n1ccnc1.COC(=O)O.
What is the InChIKey of methyl hydrogen carbonate;1-prop-1-en-2-ylimidazole?
The InChIKey is YHHTUFKGRUGBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C2H4O3/c1-6(2)8-4-3-7-5-8;1-5-2(3)4/h3-5H,1H2,2H3;1H3,(H,3,4).
What are the key properties of methyl hydrogen carbonate;1-prop-1-en-2-ylimidazole?
methyl hydrogen carbonate;1-prop-1-en-2-ylimidazole has a molecular weight of 184.19 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl hydrogen carbonate;1-prop-1-en-2-ylimidazole is sourced from PubChem (CID 174740575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).