1-cyano-N-(1-methylimidazol-2-yl)cyclopropane-1-carboxamide

C9H10N4O — CID 127004619

IUPAC1-cyano-N-(1-methylimidazol-2-yl)cyclopropane-1-carboxamide
SMILESCn1ccnc1NC(=O)C1(C#N)CC1
InChIInChI=1S/C9H10N4O/c1-13-5-4-11-8(13)12-7(14)9(6-10)2-3-9/h4-5H,2-3H2,1H3,(H,11,12,14)
InChIKeyXFCFCYJULUUAKI-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.66
Rot. Bonds2

About 1-cyano-N-(1-methylimidazol-2-yl)cyclopropane-1-carboxamide

1-cyano-N-(1-methylimidazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 127004619) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-cyano-N-(1-methylimidazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1-methylimidazol-2-yl)cyclopropane-1-carboxamide
PubChem CID127004619
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name1-cyano-N-(1-methylimidazol-2-yl)cyclopropane-1-carboxamide
SMILESCn1ccnc1NC(=O)C1(C#N)CC1
InChIInChI=1S/C9H10N4O/c1-13-5-4-11-8(13)12-7(14)9(6-10)2-3-9/h4-5H,2-3H2,1H3,(H,11,12,14)
InChIKeyXFCFCYJULUUAKI-UHFFFAOYSA-N
XLogP0.66
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-(2-methyl-1,2,4-triazol-3-yl)oxane-4-carboxamide
CID 80709863
1,1-dimethyl-3-(1-methylimidazol-2-yl)urea
CID 110470347
1-[(1-methylimidazol-2-yl)amino]cyclopropane-1-carboxylic acid
CID 65452666
1-cyano-N-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide
CID 154752575
1-cyano-N-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide
CID 78994363
1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide
CID 61461821
1-cyano-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide
CID 60678365
1-cyano-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide
CID 78994872
1-methyl-N-(1-methylimidazol-2-yl)pyrazole-4-carboxamide
CID 110471391
1-cyano-N-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxamide
CID 115181388
2-(4-fluorophenyl)-N-(1-methylimidazol-2-yl)acetamide
CID 110472886
1-cyano-N-(1,2,4-triazin-3-yl)cyclobutane-1-carboxamide
CID 114387955

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1-methylimidazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1-methylimidazol-2-yl)cyclopropane-1-carboxamide (CID 127004619) is 1-cyano-N-(1-methylimidazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1-methylimidazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1-methylimidazol-2-yl)cyclopropane-1-carboxamide is Cn1ccnc1NC(=O)C1(C#N)CC1.
What is the InChIKey of 1-cyano-N-(1-methylimidazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is XFCFCYJULUUAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-13-5-4-11-8(13)12-7(14)9(6-10)2-3-9/h4-5H,2-3H2,1H3,(H,11,12,14).
What are the key properties of 1-cyano-N-(1-methylimidazol-2-yl)cyclopropane-1-carboxamide?
1-cyano-N-(1-methylimidazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 190.21 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1-methylimidazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 127004619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).