2-methylpropyl 1-methylimidazole-2-carboxylate

C9H14N2O2 — CID 10329982

IUPAC2-methylpropyl 1-methylimidazole-2-carboxylate
SMILESCC(C)COC(=O)c1nccn1C
InChIInChI=1S/C9H14N2O2/c1-7(2)6-13-9(12)8-10-4-5-11(8)3/h4-5,7H,6H2,1-3H3
InChIKeyUCMRDILCAWFOBR-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.23
Rot. Bonds3

About 2-methylpropyl 1-methylimidazole-2-carboxylate

2-methylpropyl 1-methylimidazole-2-carboxylate (PubChem CID 10329982) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-methylpropyl 1-methylimidazole-2-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1-methylimidazole-2-carboxylate
PubChem CID10329982
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-methylpropyl 1-methylimidazole-2-carboxylate
SMILESCC(C)COC(=O)c1nccn1C
InChIInChI=1S/C9H14N2O2/c1-7(2)6-13-9(12)8-10-4-5-11(8)3/h4-5,7H,6H2,1-3H3
InChIKeyUCMRDILCAWFOBR-UHFFFAOYSA-N
XLogP1.23
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1-methylimidazole-2-carboxylate?
The IUPAC name of 2-methylpropyl 1-methylimidazole-2-carboxylate (CID 10329982) is 2-methylpropyl 1-methylimidazole-2-carboxylate.
What is the SMILES notation for 2-methylpropyl 1-methylimidazole-2-carboxylate?
The canonical SMILES for 2-methylpropyl 1-methylimidazole-2-carboxylate is CC(C)COC(=O)c1nccn1C.
What is the InChIKey of 2-methylpropyl 1-methylimidazole-2-carboxylate?
The InChIKey is UCMRDILCAWFOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(2)6-13-9(12)8-10-4-5-11(8)3/h4-5,7H,6H2,1-3H3.
What are the key properties of 2-methylpropyl 1-methylimidazole-2-carboxylate?
2-methylpropyl 1-methylimidazole-2-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-methylimidazole-2-carboxylate is sourced from PubChem (CID 10329982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).