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

C11H16N4O2 — CID 43595369

IUPAC4-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1,3-dihydroimidazol-2-one
SMILESCC1CC2CNCC2N1C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H16N4O2/c1-6-2-7-3-12-5-9(7)15(6)10(16)8-4-13-11(17)14-8/h4,6-7,9,12H,2-3,5H2,1H3,(H2,13,14,17)
InChIKeyDXLOWAXHXCOYGM-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.47
Rot. Bonds1

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

4-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1,3-dihydroimidazol-2-one (PubChem CID 43595369) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1,3-dihydroimidazol-2-one
PubChem CID43595369
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1,3-dihydroimidazol-2-one
SMILESCC1CC2CNCC2N1C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H16N4O2/c1-6-2-7-3-12-5-9(7)15(6)10(16)8-4-13-11(17)14-8/h4,6-7,9,12H,2-3,5H2,1H3,(H2,13,14,17)
InChIKeyDXLOWAXHXCOYGM-UHFFFAOYSA-N
XLogP-0.47
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(2-methyl-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

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
6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 43594686
5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 43595358
5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrazin-2-one
CID 43595368
6-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 43595501
4-(3-Pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one
CID 54885852
4-(2-Pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1,3-dihydroimidazol-2-one
CID 62275240
4-(4-Pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one
CID 63259149
4-[3-(1-Aminoethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 64028579
N-[2-(aminomethyl)cyclopentyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 65818009
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 65827510
N-[2-(aminomethyl)cyclopentyl]-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 65848931

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-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-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1,3-dihydroimidazol-2-one (CID 43595369) is 4-(2-methyl-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-(2-methyl-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-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1,3-dihydroimidazol-2-one is CC1CC2CNCC2N1C(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1,3-dihydroimidazol-2-one?
The InChIKey is DXLOWAXHXCOYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-6-2-7-3-12-5-9(7)15(6)10(16)8-4-13-11(17)14-8/h4,6-7,9,12H,2-3,5H2,1H3,(H2,13,14,17).
What are the key properties of 4-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1,3-dihydroimidazol-2-one?
4-(2-methyl-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 236.27 g/mol, XLogP of -0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-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 43595369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).