3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione

C18H23N3O3 — CID 120655797

IUPAC3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
SMILESCC1(C)CC(=O)c2cc(C(=O)N3C[C@H]4CNC[C@H]4C3)c(=O)[nH]c2C1
InChIInChI=1S/C18H23N3O3/c1-18(2)4-14-12(15(22)5-18)3-13(16(23)20-14)17(24)21-8-10-6-19-7-11(10)9-21/h3,10-11,19H,4-9H2,1-2H3,(H,20,23)/t10-,11+
InChIKeyISSBJPMYXLPFBZ-PHIMTYICSA-N
MW329.40 g/mol
LogP0.82
Rot. Bonds1

About 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione

3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione (PubChem CID 120655797) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione.

Molecular Properties

Compound Name3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
PubChem CID120655797
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
SMILESCC1(C)CC(=O)c2cc(C(=O)N3C[C@H]4CNC[C@H]4C3)c(=O)[nH]c2C1
InChIInChI=1S/C18H23N3O3/c1-18(2)4-14-12(15(22)5-18)3-13(16(23)20-14)17(24)21-8-10-6-19-7-11(10)9-21/h3,10-11,19H,4-9H2,1-2H3,(H,20,23)/t10-,11+
InChIKeyISSBJPMYXLPFBZ-PHIMTYICSA-N
XLogP0.82
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione?
The IUPAC name of 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione (CID 120655797) is 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione.
What is the SMILES notation for 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione?
The canonical SMILES for 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione is CC1(C)CC(=O)c2cc(C(=O)N3C[C@H]4CNC[C@H]4C3)c(=O)[nH]c2C1.
What is the InChIKey of 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione?
The InChIKey is ISSBJPMYXLPFBZ-PHIMTYICSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-18(2)4-14-12(15(22)5-18)3-13(16(23)20-14)17(24)21-8-10-6-19-7-11(10)9-21/h3,10-11,19H,4-9H2,1-2H3,(H,20,23)/t10-,11+.
What are the key properties of 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione?
3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione has a molecular weight of 329.40 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione is sourced from PubChem (CID 120655797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).