3,5-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-2-one

C7H11N3O — CID 122435314

IUPAC3,5-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-2-one
SMILESCN1Cc2[nH]c(=O)n(C)c2C1
InChIInChI=1S/C7H11N3O/c1-9-3-5-6(4-9)10(2)7(11)8-5/h3-4H2,1-2H3,(H,8,11)
InChIKeyRAPVPSPBMQIZML-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.34
Rot. Bonds

About 3,5-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-2-one

3,5-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-2-one (PubChem CID 122435314) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 3,5-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-2-one.

Molecular Properties

Compound Name3,5-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-2-one
PubChem CID122435314
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name3,5-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-2-one
SMILESCN1Cc2[nH]c(=O)n(C)c2C1
InChIInChI=1S/C7H11N3O/c1-9-3-5-6(4-9)10(2)7(11)8-5/h3-4H2,1-2H3,(H,8,11)
InChIKeyRAPVPSPBMQIZML-UHFFFAOYSA-N
XLogP-0.34
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-2-one?
The IUPAC name of 3,5-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-2-one (CID 122435314) is 3,5-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-2-one.
What is the SMILES notation for 3,5-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-2-one?
The canonical SMILES for 3,5-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-2-one is CN1Cc2[nH]c(=O)n(C)c2C1.
What is the InChIKey of 3,5-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-2-one?
The InChIKey is RAPVPSPBMQIZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-9-3-5-6(4-9)10(2)7(11)8-5/h3-4H2,1-2H3,(H,8,11).
What are the key properties of 3,5-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-2-one?
3,5-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-2-one has a molecular weight of 153.19 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-2-one is sourced from PubChem (CID 122435314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).