(3aR,6aS)-5-cyclohexyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione

C12H18N2O2 — CID 129493358

IUPAC(3aR,6aS)-5-cyclohexyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
SMILESO=C1[C@H]2CNC[C@H]2C(=O)N1C1CCCCC1
InChIInChI=1S/C12H18N2O2/c15-11-9-6-13-7-10(9)12(16)14(11)8-4-2-1-3-5-8/h8-10,13H,1-7H2/t9-,10+
InChIKeyKHULFSVAABFCOZ-AOOOYVTPSA-N
MW222.29 g/mol
LogP0.52
Rot. Bonds1

About (3aR,6aS)-5-cyclohexyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione

(3aR,6aS)-5-cyclohexyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione (PubChem CID 129493358) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (3aR,6aS)-5-cyclohexyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name(3aR,6aS)-5-cyclohexyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
PubChem CID129493358
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(3aR,6aS)-5-cyclohexyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
SMILESO=C1[C@H]2CNC[C@H]2C(=O)N1C1CCCCC1
InChIInChI=1S/C12H18N2O2/c15-11-9-6-13-7-10(9)12(16)14(11)8-4-2-1-3-5-8/h8-10,13H,1-7H2/t9-,10+
InChIKeyKHULFSVAABFCOZ-AOOOYVTPSA-N
XLogP0.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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CID 757840
2-(6-oxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 55247004
5-methyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 14158887
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CID 64817600
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CID 97103381
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CID 115003919
(1R,2S,6R,7R)-4-cycloheptyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98310907
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(1R,2R,6R,7R)-4-cycloheptyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5-cyclohexyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione?
The IUPAC name of (3aR,6aS)-5-cyclohexyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione (CID 129493358) is (3aR,6aS)-5-cyclohexyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for (3aR,6aS)-5-cyclohexyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for (3aR,6aS)-5-cyclohexyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione is O=C1[C@H]2CNC[C@H]2C(=O)N1C1CCCCC1.
What is the InChIKey of (3aR,6aS)-5-cyclohexyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione?
The InChIKey is KHULFSVAABFCOZ-AOOOYVTPSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-11-9-6-13-7-10(9)12(16)14(11)8-4-2-1-3-5-8/h8-10,13H,1-7H2/t9-,10+.
What are the key properties of (3aR,6aS)-5-cyclohexyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione?
(3aR,6aS)-5-cyclohexyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione has a molecular weight of 222.29 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5-cyclohexyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 129493358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).