1-methyl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one

C7H8N2O — CID 23084016

IUPAC1-methyl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one
SMILESCc1ncn2c1C(=O)CC2
InChIInChI=1S/C7H8N2O/c1-5-7-6(10)2-3-9(7)4-8-5/h4H,2-3H2,1H3
InChIKeyLJSKPCBAJKQBHY-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.78
Rot. Bonds

About 1-methyl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one

1-methyl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one (PubChem CID 23084016) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 1-methyl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one.

Molecular Properties

Compound Name1-methyl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one
PubChem CID23084016
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name1-methyl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one
SMILESCc1ncn2c1C(=O)CC2
InChIInChI=1S/C7H8N2O/c1-5-7-6(10)2-3-9(7)4-8-5/h4H,2-3H2,1H3
InChIKeyLJSKPCBAJKQBHY-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one?
The IUPAC name of 1-methyl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one (CID 23084016) is 1-methyl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one.
What is the SMILES notation for 1-methyl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one?
The canonical SMILES for 1-methyl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one is Cc1ncn2c1C(=O)CC2.
What is the InChIKey of 1-methyl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one?
The InChIKey is LJSKPCBAJKQBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-5-7-6(10)2-3-9(7)4-8-5/h4H,2-3H2,1H3.
What are the key properties of 1-methyl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one?
1-methyl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one has a molecular weight of 136.15 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one is sourced from PubChem (CID 23084016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).