[(3aR,6aR)-1-(furan-2-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-cyclopropylmethanone

C15H18N2O3 — CID 124787875

IUPAC[(3aR,6aR)-1-(furan-2-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1C[C@H]2CCN(C(=O)c3ccco3)[C@H]2C1
InChIInChI=1S/C15H18N2O3/c18-14(10-3-4-10)16-8-11-5-6-17(12(11)9-16)15(19)13-2-1-7-20-13/h1-2,7,10-12H,3-6,8-9H2/t11-,12+/m1/s1
InChIKeyGETIXWOBHHAPRQ-NEPJUHHUSA-N
MW274.32 g/mol
LogP1.36
Rot. Bonds2

About [(3aR,6aR)-1-(furan-2-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-cyclopropylmethanone

[(3aR,6aR)-1-(furan-2-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-cyclopropylmethanone (PubChem CID 124787875) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is [(3aR,6aR)-1-(furan-2-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[(3aR,6aR)-1-(furan-2-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-cyclopropylmethanone
PubChem CID124787875
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name[(3aR,6aR)-1-(furan-2-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1C[C@H]2CCN(C(=O)c3ccco3)[C@H]2C1
InChIInChI=1S/C15H18N2O3/c18-14(10-3-4-10)16-8-11-5-6-17(12(11)9-16)15(19)13-2-1-7-20-13/h1-2,7,10-12H,3-6,8-9H2/t11-,12+/m1/s1
InChIKeyGETIXWOBHHAPRQ-NEPJUHHUSA-N
XLogP1.36
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3aR,6aR)-1-(furan-2-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-cyclopropylmethanone with MolForge

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Related Compounds

[(3aS,6aS)-5-methylsulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(furan-2-yl)methanone
CID 97402486
1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 45341263
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
(4-tert-butylcyclohexyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 35523855
(3R)-8-(cyclopropanecarbonyl)-2-(furan-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95869342
furan-2-yl-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81206244
furan-2-yl-(2-methylaziridin-1-yl)methanone
CID 71425455
[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-(furan-2-yl)methanone
CID 43603970
[(2S)-2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 95591260
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
(3aR,6aS)-4-(cyclopropylmethyl)-1-(furan-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 97402397
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone
CID 100850284

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-1-(furan-2-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-cyclopropylmethanone?
The IUPAC name of [(3aR,6aR)-1-(furan-2-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-cyclopropylmethanone (CID 124787875) is [(3aR,6aR)-1-(furan-2-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-cyclopropylmethanone.
What is the SMILES notation for [(3aR,6aR)-1-(furan-2-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-cyclopropylmethanone?
The canonical SMILES for [(3aR,6aR)-1-(furan-2-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-cyclopropylmethanone is O=C(C1CC1)N1C[C@H]2CCN(C(=O)c3ccco3)[C@H]2C1.
What is the InChIKey of [(3aR,6aR)-1-(furan-2-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-cyclopropylmethanone?
The InChIKey is GETIXWOBHHAPRQ-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14(10-3-4-10)16-8-11-5-6-17(12(11)9-16)15(19)13-2-1-7-20-13/h1-2,7,10-12H,3-6,8-9H2/t11-,12+/m1/s1.
What are the key properties of [(3aR,6aR)-1-(furan-2-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-cyclopropylmethanone?
[(3aR,6aR)-1-(furan-2-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-cyclopropylmethanone has a molecular weight of 274.32 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-1-(furan-2-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-cyclopropylmethanone is sourced from PubChem (CID 124787875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).