N,N-dimethylimidazole-1-carboxamide

C6H9N3O — CID 3053352

IUPACN,N-dimethylimidazole-1-carboxamide
SMILESCN(C)C(=O)n1ccnc1
InChIInChI=1S/C6H9N3O/c1-8(2)6(10)9-4-3-7-5-9/h3-5H,1-2H3
InChIKeyDQLTWJREEUSJEQ-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.41
Rot. Bonds

About N,N-dimethylimidazole-1-carboxamide

N,N-dimethylimidazole-1-carboxamide (PubChem CID 3053352) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is N,N-dimethylimidazole-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethylimidazole-1-carboxamide
PubChem CID3053352
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC NameN,N-dimethylimidazole-1-carboxamide
SMILESCN(C)C(=O)n1ccnc1
InChIInChI=1S/C6H9N3O/c1-8(2)6(10)9-4-3-7-5-9/h3-5H,1-2H3
InChIKeyDQLTWJREEUSJEQ-UHFFFAOYSA-N
XLogP0.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-Imidazol-1-yl)ethanone
CID 17174
1-Methylimidazole
CID 1390
Butylimidazole
CID 61347
1,2-Dimethylimidazole
CID 15617
1-Vinylimidazole
CID 66171
1,1'-Carbonyldiimidazole
CID 68263
1-Ethyl-3-methylimidazolium chloride
CID 2734160
n-Propylimidazole
CID 118785
1-Ethyl-3-methylimidazolium iodide
CID 11075478
1-Methyl-3-propylimidazolium Iodide
CID 12971008
1H-Imidazolium, 3-ethyl-1-methyl-, salt with N-cyanocyanamide (1:1)
CID 11159638
1,3-Dimethylimidazolium Iodide
CID 20334

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylimidazole-1-carboxamide?
The IUPAC name of N,N-dimethylimidazole-1-carboxamide (CID 3053352) is N,N-dimethylimidazole-1-carboxamide.
What is the SMILES notation for N,N-dimethylimidazole-1-carboxamide?
The canonical SMILES for N,N-dimethylimidazole-1-carboxamide is CN(C)C(=O)n1ccnc1.
What is the InChIKey of N,N-dimethylimidazole-1-carboxamide?
The InChIKey is DQLTWJREEUSJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-8(2)6(10)9-4-3-7-5-9/h3-5H,1-2H3.
What are the key properties of N,N-dimethylimidazole-1-carboxamide?
N,N-dimethylimidazole-1-carboxamide has a molecular weight of 139.16 g/mol, XLogP of 0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylimidazole-1-carboxamide is sourced from PubChem (CID 3053352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).