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

C5H5N3O — CID 69289565

IUPAC3,4-dihydro-1H-pyrrolo[2,3-d]imidazol-2-one
SMILESO=c1[nH]c2cc[nH]c2[nH]1
InChIInChI=1S/C5H5N3O/c9-5-7-3-1-2-6-4(3)8-5/h1-2,6H,(H2,7,8,9)
InChIKeyGANJWJGFHSUPBT-UHFFFAOYSA-N
MW123.11 g/mol
LogP0.18
Rot. Bonds

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

3,4-dihydro-1H-pyrrolo[2,3-d]imidazol-2-one (PubChem CID 69289565) has the molecular formula C5H5N3O and a molecular weight of 123.11 g/mol. Its IUPAC name is 3,4-dihydro-1H-pyrrolo[2,3-d]imidazol-2-one.

Molecular Properties

Compound Name3,4-dihydro-1H-pyrrolo[2,3-d]imidazol-2-one
PubChem CID69289565
Molecular FormulaC5H5N3O
Molecular Weight123.11 g/mol
Exact Mass123.04
IUPAC Name3,4-dihydro-1H-pyrrolo[2,3-d]imidazol-2-one
SMILESO=c1[nH]c2cc[nH]c2[nH]1
InChIInChI=1S/C5H5N3O/c9-5-7-3-1-2-6-4(3)8-5/h1-2,6H,(H2,7,8,9)
InChIKeyGANJWJGFHSUPBT-UHFFFAOYSA-N
XLogP0.18
TPSA64.44 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-pyrrolo[2,3-d]imidazol-2-one?
The IUPAC name of 3,4-dihydro-1H-pyrrolo[2,3-d]imidazol-2-one (CID 69289565) is 3,4-dihydro-1H-pyrrolo[2,3-d]imidazol-2-one.
What is the SMILES notation for 3,4-dihydro-1H-pyrrolo[2,3-d]imidazol-2-one?
The canonical SMILES for 3,4-dihydro-1H-pyrrolo[2,3-d]imidazol-2-one is O=c1[nH]c2cc[nH]c2[nH]1.
What is the InChIKey of 3,4-dihydro-1H-pyrrolo[2,3-d]imidazol-2-one?
The InChIKey is GANJWJGFHSUPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O/c9-5-7-3-1-2-6-4(3)8-5/h1-2,6H,(H2,7,8,9).
What are the key properties of 3,4-dihydro-1H-pyrrolo[2,3-d]imidazol-2-one?
3,4-dihydro-1H-pyrrolo[2,3-d]imidazol-2-one has a molecular weight of 123.11 g/mol, XLogP of 0.18, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-pyrrolo[2,3-d]imidazol-2-one is sourced from PubChem (CID 69289565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).