2-cyclopropyl-1,4-dihydroimidazol-5-one

C6H8N2O — CID 106951899

IUPAC2-cyclopropyl-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(C2CC2)N1
InChIInChI=1S/C6H8N2O/c9-5-3-7-6(8-5)4-1-2-4/h4H,1-3H2,(H,7,8,9)
InChIKeyMCSHCDQOTODPJY-UHFFFAOYSA-N
MW124.14 g/mol
LogP-0.08
Rot. Bonds1

About 2-cyclopropyl-1,4-dihydroimidazol-5-one

2-cyclopropyl-1,4-dihydroimidazol-5-one (PubChem CID 106951899) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 2-cyclopropyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-cyclopropyl-1,4-dihydroimidazol-5-one
PubChem CID106951899
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name2-cyclopropyl-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(C2CC2)N1
InChIInChI=1S/C6H8N2O/c9-5-3-7-6(8-5)4-1-2-4/h4H,1-3H2,(H,7,8,9)
InChIKeyMCSHCDQOTODPJY-UHFFFAOYSA-N
XLogP-0.08
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-cyclopropyl-1,4-dihydroimidazol-5-one (CID 106951899) is 2-cyclopropyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-cyclopropyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-cyclopropyl-1,4-dihydroimidazol-5-one is O=C1CN=C(C2CC2)N1.
What is the InChIKey of 2-cyclopropyl-1,4-dihydroimidazol-5-one?
The InChIKey is MCSHCDQOTODPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c9-5-3-7-6(8-5)4-1-2-4/h4H,1-3H2,(H,7,8,9).
What are the key properties of 2-cyclopropyl-1,4-dihydroimidazol-5-one?
2-cyclopropyl-1,4-dihydroimidazol-5-one has a molecular weight of 124.14 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106951899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).