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

C12H18N4O2 — CID 66209861

IUPAC4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1,3-dihydroimidazol-2-one
SMILESCCC1C2CNCC2CN1C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C12H18N4O2/c1-2-10-8-4-13-3-7(8)6-16(10)11(17)9-5-14-12(18)15-9/h5,7-8,10,13H,2-4,6H2,1H3,(H2,14,15,18)
InChIKeyVMWKCZPQNHHROX-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.23
Rot. Bonds2

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

4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1,3-dihydroimidazol-2-one (PubChem CID 66209861) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1,3-dihydroimidazol-2-one
PubChem CID66209861
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1,3-dihydroimidazol-2-one
SMILESCCC1C2CNCC2CN1C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C12H18N4O2/c1-2-10-8-4-13-3-7(8)6-16(10)11(17)9-5-14-12(18)15-9/h5,7-8,10,13H,2-4,6H2,1H3,(H2,14,15,18)
InChIKeyVMWKCZPQNHHROX-UHFFFAOYSA-N
XLogP-0.23
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 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) is 4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1,3-dihydroimidazol-2-one is CCC1C2CNCC2CN1C(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1,3-dihydroimidazol-2-one?
The InChIKey is VMWKCZPQNHHROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-10-8-4-13-3-7(8)6-16(10)11(17)9-5-14-12(18)15-9/h5,7-8,10,13H,2-4,6H2,1H3,(H2,14,15,18).
What are the key properties of 4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1,3-dihydroimidazol-2-one?
4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1,3-dihydroimidazol-2-one has a molecular weight of 250.30 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 66209861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).