4-(3-hydroxypyrrolidine-1-carbonyl)-1,3-dihydroimidazol-2-one

C8H11N3O3 — CID 62917417

IUPAC4-(3-hydroxypyrrolidine-1-carbonyl)-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CCC(O)C1
InChIInChI=1S/C8H11N3O3/c12-5-1-2-11(4-5)7(13)6-3-9-8(14)10-6/h3,5,12H,1-2,4H2,(H2,9,10,14)
InChIKeyQHFJQEIVIGGWPD-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.09
Rot. Bonds1

About 4-(3-hydroxypyrrolidine-1-carbonyl)-1,3-dihydroimidazol-2-one

4-(3-hydroxypyrrolidine-1-carbonyl)-1,3-dihydroimidazol-2-one (PubChem CID 62917417) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 4-(3-hydroxypyrrolidine-1-carbonyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(3-hydroxypyrrolidine-1-carbonyl)-1,3-dihydroimidazol-2-one
PubChem CID62917417
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name4-(3-hydroxypyrrolidine-1-carbonyl)-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CCC(O)C1
InChIInChI=1S/C8H11N3O3/c12-5-1-2-11(4-5)7(13)6-3-9-8(14)10-6/h3,5,12H,1-2,4H2,(H2,9,10,14)
InChIKeyQHFJQEIVIGGWPD-UHFFFAOYSA-N
XLogP-1.09
TPSA89.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypyrrolidine-1-carbonyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(3-hydroxypyrrolidine-1-carbonyl)-1,3-dihydroimidazol-2-one (CID 62917417) is 4-(3-hydroxypyrrolidine-1-carbonyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(3-hydroxypyrrolidine-1-carbonyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(3-hydroxypyrrolidine-1-carbonyl)-1,3-dihydroimidazol-2-one is O=C(c1c[nH]c(=O)[nH]1)N1CCC(O)C1.
What is the InChIKey of 4-(3-hydroxypyrrolidine-1-carbonyl)-1,3-dihydroimidazol-2-one?
The InChIKey is QHFJQEIVIGGWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c12-5-1-2-11(4-5)7(13)6-3-9-8(14)10-6/h3,5,12H,1-2,4H2,(H2,9,10,14).
What are the key properties of 4-(3-hydroxypyrrolidine-1-carbonyl)-1,3-dihydroimidazol-2-one?
4-(3-hydroxypyrrolidine-1-carbonyl)-1,3-dihydroimidazol-2-one has a molecular weight of 197.19 g/mol, XLogP of -1.09, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypyrrolidine-1-carbonyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 62917417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).