4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1,3-dihydroimidazol-2-one

C10H14N4O2 — CID 43594545

IUPAC4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CC[C@H]2CNC[C@H]21
InChIInChI=1S/C10H14N4O2/c15-9(7-4-12-10(16)13-7)14-2-1-6-3-11-5-8(6)14/h4,6,8,11H,1-3,5H2,(H2,12,13,16)/t6-,8+/m0/s1
InChIKeyLUNQNZMHYOHUDB-POYBYMJQSA-N
MW222.25 g/mol
LogP-0.86
Rot. Bonds1

About 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1,3-dihydroimidazol-2-one

4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1,3-dihydroimidazol-2-one (PubChem CID 43594545) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1,3-dihydroimidazol-2-one
PubChem CID43594545
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CC[C@H]2CNC[C@H]21
InChIInChI=1S/C10H14N4O2/c15-9(7-4-12-10(16)13-7)14-2-1-6-3-11-5-8(6)14/h4,6,8,11H,1-3,5H2,(H2,12,13,16)/t6-,8+/m0/s1
InChIKeyLUNQNZMHYOHUDB-POYBYMJQSA-N
XLogP-0.86
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1,3-dihydroimidazol-2-one with MolForge

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Related Compounds

5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrazin-2-one
CID 43594544
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(1H-pyrazol-5-yl)methanone
CID 63080847
4-[(2S)-2-methylpiperazine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 82755240
4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1,3-dihydroimidazol-2-one
CID 66209861
[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(4-fluorophenyl)methanone
CID 124652211
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(4-chlorophenyl)methanone
CID 43594709
(2R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 28789702
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(furan-3-yl)methanone
CID 43594630
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103120579
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-chlorothiophen-2-yl)methanone
CID 80640867
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,4-dichlorophenyl)methanone
CID 43594594
(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
CID 43596676

Frequently Asked Questions

What is the IUPAC name of 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1,3-dihydroimidazol-2-one (CID 43594545) is 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1,3-dihydroimidazol-2-one is O=C(c1c[nH]c(=O)[nH]1)N1CC[C@H]2CNC[C@H]21.
What is the InChIKey of 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1,3-dihydroimidazol-2-one?
The InChIKey is LUNQNZMHYOHUDB-POYBYMJQSA-N. The full InChI is InChI=1S/C10H14N4O2/c15-9(7-4-12-10(16)13-7)14-2-1-6-3-11-5-8(6)14/h4,6,8,11H,1-3,5H2,(H2,12,13,16)/t6-,8+/m0/s1.
What are the key properties of 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1,3-dihydroimidazol-2-one?
4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1,3-dihydroimidazol-2-one has a molecular weight of 222.25 g/mol, XLogP of -0.86, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 43594545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).