3-methyl-4,5-dihydrocyclopenta[d]imidazol-6-one

C7H8N2O — CID 83872240

IUPAC3-methyl-4,5-dihydrocyclopenta[d]imidazol-6-one
SMILESCn1cnc2c1CCC2=O
InChIInChI=1S/C7H8N2O/c1-9-4-8-7-5(9)2-3-6(7)10/h4H,2-3H2,1H3
InChIKeyAUSXWPUZAUAQDH-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.55
Rot. Bonds

About 3-methyl-4,5-dihydrocyclopenta[d]imidazol-6-one

3-methyl-4,5-dihydrocyclopenta[d]imidazol-6-one (PubChem CID 83872240) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 3-methyl-4,5-dihydrocyclopenta[d]imidazol-6-one.

Molecular Properties

Compound Name3-methyl-4,5-dihydrocyclopenta[d]imidazol-6-one
PubChem CID83872240
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name3-methyl-4,5-dihydrocyclopenta[d]imidazol-6-one
SMILESCn1cnc2c1CCC2=O
InChIInChI=1S/C7H8N2O/c1-9-4-8-7-5(9)2-3-6(7)10/h4H,2-3H2,1H3
InChIKeyAUSXWPUZAUAQDH-UHFFFAOYSA-N
XLogP0.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5-dihydrocyclopenta[d]imidazol-6-one?
The IUPAC name of 3-methyl-4,5-dihydrocyclopenta[d]imidazol-6-one (CID 83872240) is 3-methyl-4,5-dihydrocyclopenta[d]imidazol-6-one.
What is the SMILES notation for 3-methyl-4,5-dihydrocyclopenta[d]imidazol-6-one?
The canonical SMILES for 3-methyl-4,5-dihydrocyclopenta[d]imidazol-6-one is Cn1cnc2c1CCC2=O.
What is the InChIKey of 3-methyl-4,5-dihydrocyclopenta[d]imidazol-6-one?
The InChIKey is AUSXWPUZAUAQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-9-4-8-7-5(9)2-3-6(7)10/h4H,2-3H2,1H3.
What are the key properties of 3-methyl-4,5-dihydrocyclopenta[d]imidazol-6-one?
3-methyl-4,5-dihydrocyclopenta[d]imidazol-6-one has a molecular weight of 136.15 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5-dihydrocyclopenta[d]imidazol-6-one is sourced from PubChem (CID 83872240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).