cyclopropyl(1H-imidazol-2-yl)methanone

C7H8N2O — CID 22669357

IUPACcyclopropyl(1H-imidazol-2-yl)methanone
SMILESO=C(c1ncc[nH]1)C1CC1
InChIInChI=1S/C7H8N2O/c10-6(5-1-2-5)7-8-3-4-9-7/h3-5H,1-2H2,(H,8,9)
InChIKeyNEXBJFQNNCZHNU-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.00
Rot. Bonds2

About cyclopropyl(1H-imidazol-2-yl)methanone

cyclopropyl(1H-imidazol-2-yl)methanone (PubChem CID 22669357) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is cyclopropyl(1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Namecyclopropyl(1H-imidazol-2-yl)methanone
PubChem CID22669357
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Namecyclopropyl(1H-imidazol-2-yl)methanone
SMILESO=C(c1ncc[nH]1)C1CC1
InChIInChI=1S/C7H8N2O/c10-6(5-1-2-5)7-8-3-4-9-7/h3-5H,1-2H2,(H,8,9)
InChIKeyNEXBJFQNNCZHNU-UHFFFAOYSA-N
XLogP1.00
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl(1H-imidazol-2-yl)methanone?
The IUPAC name of cyclopropyl(1H-imidazol-2-yl)methanone (CID 22669357) is cyclopropyl(1H-imidazol-2-yl)methanone.
What is the SMILES notation for cyclopropyl(1H-imidazol-2-yl)methanone?
The canonical SMILES for cyclopropyl(1H-imidazol-2-yl)methanone is O=C(c1ncc[nH]1)C1CC1.
What is the InChIKey of cyclopropyl(1H-imidazol-2-yl)methanone?
The InChIKey is NEXBJFQNNCZHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c10-6(5-1-2-5)7-8-3-4-9-7/h3-5H,1-2H2,(H,8,9).
What are the key properties of cyclopropyl(1H-imidazol-2-yl)methanone?
cyclopropyl(1H-imidazol-2-yl)methanone has a molecular weight of 136.15 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(1H-imidazol-2-yl)methanone is sourced from PubChem (CID 22669357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).