[(3aR,4S,6aS)-5-(furan-3-carbonyl)-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopent-3-en-1-ylmethanone

C23H24N2O3 — CID 170506012

IUPAC[(3aR,4S,6aS)-5-(furan-3-carbonyl)-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopent-3-en-1-ylmethanone
SMILESO=C(C1CC=CC1)N1C[C@H]2CN(C(=O)c3ccoc3)[C@H](c3ccccc3)[C@H]2C1
InChIInChI=1S/C23H24N2O3/c26-22(17-8-4-5-9-17)24-12-19-13-25(23(27)18-10-11-28-15-18)21(20(19)14-24)16-6-2-1-3-7-16/h1-7,10-11,15,17,19-21H,8-9,12-14H2/t19-,20-,21+/m0/s1
InChIKeyQDLZQSZHDIIXPW-PCCBWWKXSA-N
MW376.46 g/mol
LogP3.52
Rot. Bonds3

About [(3aR,4S,6aS)-5-(furan-3-carbonyl)-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopent-3-en-1-ylmethanone

[(3aR,4S,6aS)-5-(furan-3-carbonyl)-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopent-3-en-1-ylmethanone (PubChem CID 170506012) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is [(3aR,4S,6aS)-5-(furan-3-carbonyl)-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopent-3-en-1-ylmethanone.

Molecular Properties

Compound Name[(3aR,4S,6aS)-5-(furan-3-carbonyl)-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopent-3-en-1-ylmethanone
PubChem CID170506012
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name[(3aR,4S,6aS)-5-(furan-3-carbonyl)-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopent-3-en-1-ylmethanone
SMILESO=C(C1CC=CC1)N1C[C@H]2CN(C(=O)c3ccoc3)[C@H](c3ccccc3)[C@H]2C1
InChIInChI=1S/C23H24N2O3/c26-22(17-8-4-5-9-17)24-12-19-13-25(23(27)18-10-11-28-15-18)21(20(19)14-24)16-6-2-1-3-7-16/h1-7,10-11,15,17,19-21H,8-9,12-14H2/t19-,20-,21+/m0/s1
InChIKeyQDLZQSZHDIIXPW-PCCBWWKXSA-N
XLogP3.52
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3aR,4S,6aS)-5-(furan-3-carbonyl)-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methylsulfonylethanone
CID 170506006
[(3aR,4R,6aS)-2-(1,1-dioxothian-4-yl)-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(furan-3-yl)methanone
CID 171909630
[(3aR,4R,6aS)-5-(2-methyl-1H-imidazole-5-carbonyl)-4-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(furan-3-yl)methanone
CID 171385971
1-[(3aR,4R,6aS)-2-(furan-3-carbonyl)-4-(4-methoxyphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pentan-1-one
CID 170504369
[(3aR,4S,6aS)-4-phenyl-2-(pyrazine-2-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclopentylmethanone
CID 170504412
[(3aR,4S,6aS)-2-(cyclohexylmethyl)-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-phenylmethanone
CID 171913555
1-[(3aR,4S,6aS)-5-(cyclobutanecarbonyl)-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
CID 170502997
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(furan-3-yl)methanone
CID 120745387
[(3aR,4S,6aS)-4-(2-methylphenyl)-5-(pyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(3-hydroxycyclobutyl)methanone
CID 171910594
1-benzoyl-4,5-diphenylpyrrolidine-3-carboxylic acid
CID 53440493
(3aS)-2-(furan-3-carbonyl)-5-(3-phenylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-4-carboxamide
CID 173163662
[1-(furan-3-carbonyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 35503421

Frequently Asked Questions

What is the IUPAC name of [(3aR,4S,6aS)-5-(furan-3-carbonyl)-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopent-3-en-1-ylmethanone?
The IUPAC name of [(3aR,4S,6aS)-5-(furan-3-carbonyl)-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopent-3-en-1-ylmethanone (CID 170506012) is [(3aR,4S,6aS)-5-(furan-3-carbonyl)-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopent-3-en-1-ylmethanone.
What is the SMILES notation for [(3aR,4S,6aS)-5-(furan-3-carbonyl)-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopent-3-en-1-ylmethanone?
The canonical SMILES for [(3aR,4S,6aS)-5-(furan-3-carbonyl)-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopent-3-en-1-ylmethanone is O=C(C1CC=CC1)N1C[C@H]2CN(C(=O)c3ccoc3)[C@H](c3ccccc3)[C@H]2C1.
What is the InChIKey of [(3aR,4S,6aS)-5-(furan-3-carbonyl)-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopent-3-en-1-ylmethanone?
The InChIKey is QDLZQSZHDIIXPW-PCCBWWKXSA-N. The full InChI is InChI=1S/C23H24N2O3/c26-22(17-8-4-5-9-17)24-12-19-13-25(23(27)18-10-11-28-15-18)21(20(19)14-24)16-6-2-1-3-7-16/h1-7,10-11,15,17,19-21H,8-9,12-14H2/t19-,20-,21+/m0/s1.
What are the key properties of [(3aR,4S,6aS)-5-(furan-3-carbonyl)-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopent-3-en-1-ylmethanone?
[(3aR,4S,6aS)-5-(furan-3-carbonyl)-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopent-3-en-1-ylmethanone has a molecular weight of 376.46 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4S,6aS)-5-(furan-3-carbonyl)-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopent-3-en-1-ylmethanone is sourced from PubChem (CID 170506012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).