(3aR,6aS)-4-(cyclopropylmethyl)-1-(furan-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one

C15H18N2O3 — CID 97402397

IUPAC(3aR,6aS)-4-(cyclopropylmethyl)-1-(furan-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
SMILESO=C1C[C@H]2[C@@H](CCN2C(=O)c2ccco2)N1CC1CC1
InChIInChI=1S/C15H18N2O3/c18-14-8-12-11(17(14)9-10-3-4-10)5-6-16(12)15(19)13-2-1-7-20-13/h1-2,7,10-12H,3-6,8-9H2/t11-,12+/m1/s1
InChIKeyXCXMRVUAXGHAJA-NEPJUHHUSA-N
MW274.32 g/mol
LogP1.50
Rot. Bonds3

About (3aR,6aS)-4-(cyclopropylmethyl)-1-(furan-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one

(3aR,6aS)-4-(cyclopropylmethyl)-1-(furan-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one (PubChem CID 97402397) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (3aR,6aS)-4-(cyclopropylmethyl)-1-(furan-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one.

Molecular Properties

Compound Name(3aR,6aS)-4-(cyclopropylmethyl)-1-(furan-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
PubChem CID97402397
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(3aR,6aS)-4-(cyclopropylmethyl)-1-(furan-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
SMILESO=C1C[C@H]2[C@@H](CCN2C(=O)c2ccco2)N1CC1CC1
InChIInChI=1S/C15H18N2O3/c18-14-8-12-11(17(14)9-10-3-4-10)5-6-16(12)15(19)13-2-1-7-20-13/h1-2,7,10-12H,3-6,8-9H2/t11-,12+/m1/s1
InChIKeyXCXMRVUAXGHAJA-NEPJUHHUSA-N
XLogP1.50
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3aR,6aS)-1-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(furan-2-yl)methanone
CID 97459000
(3aR,6aS)-1-(furan-2-carbonyl)-4-(1-methylpyrazol-4-yl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 97386401
(3aR,6aR)-4-(cyclopropylmethyl)-1-(pyrazine-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 124807428
(3aR,7aR)-4-(cyclopropylmethyl)-1-(pyridine-2-carbonyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97404055
(3aS,6aR)-1-(furan-2-carbonyl)-4-pyridin-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;2,2,2-trifluoroacetic acid
CID 127021618
[(3aR,6aS)-1-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(furan-2-yl)methanone
CID 97459164
[(3aR,6aR)-1-(furan-2-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-cyclopropylmethanone
CID 124787875
(3aR,7aR)-1-(furan-3-carbonyl)-4-(oxan-4-ylmethyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 124802877
[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(furan-2-yl)methanone
CID 97384312
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(furan-2-yl)methanone
CID 102787065
[(3aS,6aS)-5-methylsulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(furan-2-yl)methanone
CID 97402486
[2-(bromomethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 74554943

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-4-(cyclopropylmethyl)-1-(furan-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
The IUPAC name of (3aR,6aS)-4-(cyclopropylmethyl)-1-(furan-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one (CID 97402397) is (3aR,6aS)-4-(cyclopropylmethyl)-1-(furan-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one.
What is the SMILES notation for (3aR,6aS)-4-(cyclopropylmethyl)-1-(furan-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
The canonical SMILES for (3aR,6aS)-4-(cyclopropylmethyl)-1-(furan-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one is O=C1C[C@H]2[C@@H](CCN2C(=O)c2ccco2)N1CC1CC1.
What is the InChIKey of (3aR,6aS)-4-(cyclopropylmethyl)-1-(furan-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
The InChIKey is XCXMRVUAXGHAJA-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14-8-12-11(17(14)9-10-3-4-10)5-6-16(12)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,6aS)-4-(cyclopropylmethyl)-1-(furan-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
(3aR,6aS)-4-(cyclopropylmethyl)-1-(furan-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one has a molecular weight of 274.32 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-4-(cyclopropylmethyl)-1-(furan-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one is sourced from PubChem (CID 97402397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).