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

C13H18N4O2 — CID 66209086

IUPAC5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one
SMILESCCC1C2CNCC2CN1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C13H18N4O2/c1-2-11-9-4-14-3-8(9)7-17(11)13(19)10-5-16-12(18)6-15-10/h5-6,8-9,11,14H,2-4,7H2,1H3,(H,16,18)
InChIKeyACFZBBGZPOFAIB-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.16
Rot. Bonds2

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

5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one (PubChem CID 66209086) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one
PubChem CID66209086
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one
SMILESCCC1C2CNCC2CN1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C13H18N4O2/c1-2-11-9-4-14-3-8(9)7-17(11)13(19)10-5-16-12(18)6-15-10/h5-6,8-9,11,14H,2-4,7H2,1H3,(H,16,18)
InChIKeyACFZBBGZPOFAIB-UHFFFAOYSA-N
XLogP-0.16
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one?
The IUPAC name of 5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one (CID 66209086) is 5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one.
What is the SMILES notation for 5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one?
The canonical SMILES for 5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one is CCC1C2CNCC2CN1C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one?
The InChIKey is ACFZBBGZPOFAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-2-11-9-4-14-3-8(9)7-17(11)13(19)10-5-16-12(18)6-15-10/h5-6,8-9,11,14H,2-4,7H2,1H3,(H,16,18).
What are the key properties of 5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one?
5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one has a molecular weight of 262.31 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one is sourced from PubChem (CID 66209086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).