4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one

C11H17N3O3 — CID 113322296

IUPAC4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESCC(O)CC1CCCN1C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O3/c1-7(15)5-8-3-2-4-14(8)10(16)9-6-12-11(17)13-9/h6-8,15H,2-5H2,1H3,(H2,12,13,17)
InChIKeyHBNGKQVYHLGZFM-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.08
Rot. Bonds3

About 4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one

4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one (PubChem CID 113322296) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
PubChem CID113322296
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESCC(O)CC1CCCN1C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O3/c1-7(15)5-8-3-2-4-14(8)10(16)9-6-12-11(17)13-9/h6-8,15H,2-5H2,1H3,(H2,12,13,17)
InChIKeyHBNGKQVYHLGZFM-UHFFFAOYSA-N
XLogP0.08
TPSA89.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one (CID 113322296) is 4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one is CC(O)CC1CCCN1C(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The InChIKey is HBNGKQVYHLGZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(15)5-8-3-2-4-14(8)10(16)9-6-12-11(17)13-9/h6-8,15H,2-5H2,1H3,(H2,12,13,17).
What are the key properties of 4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one has a molecular weight of 239.27 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 113322296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).