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

C12H16N2O2 — CID 98819488

IUPAC(3aS,6aS)-1-(furan-3-ylmethyl)-4-methyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
SMILESCN1C(=O)C[C@H]2[C@@H]1CCN2Cc1ccoc1
InChIInChI=1S/C12H16N2O2/c1-13-10-2-4-14(11(10)6-12(13)15)7-9-3-5-16-8-9/h3,5,8,10-11H,2,4,6-7H2,1H3/t10-,11-/m0/s1
InChIKeyIEYZUUNCLCAFFI-QWRGUYRKSA-N
MW220.27 g/mol
LogP1.08
Rot. Bonds2

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

(3aS,6aS)-1-(furan-3-ylmethyl)-4-methyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one (PubChem CID 98819488) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (3aS,6aS)-1-(furan-3-ylmethyl)-4-methyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one.

Molecular Properties

Compound Name(3aS,6aS)-1-(furan-3-ylmethyl)-4-methyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
PubChem CID98819488
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(3aS,6aS)-1-(furan-3-ylmethyl)-4-methyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
SMILESCN1C(=O)C[C@H]2[C@@H]1CCN2Cc1ccoc1
InChIInChI=1S/C12H16N2O2/c1-13-10-2-4-14(11(10)6-12(13)15)7-9-3-5-16-8-9/h3,5,8,10-11H,2,4,6-7H2,1H3/t10-,11-/m0/s1
InChIKeyIEYZUUNCLCAFFI-QWRGUYRKSA-N
XLogP1.08
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS,6aR)-1-(furan-3-ylmethyl)-4-(pyridin-3-ylmethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 124806692
3-[(4-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)methyl]benzonitrile
CID 118750626
(3aR,7aR)-1-benzyl-4-methyl-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97460695
(3aR,6aS)-1-(furan-3-ylmethyl)-4-(pyridin-2-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 124804817
1-(furan-3-ylmethyl)-2-propan-2-ylazetidine
CID 127001213
(3aS,6aR)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 98778785
(3aR,6aS)-4-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97378577
(4R,4aS,7aS)-1-(furan-3-ylmethyl)-4-methoxy-6-(2-methoxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 97477513
1-(furan-3-ylmethyl)-2-methylpiperidine
CID 131067183
(4R,4aR,7aR)-6-(cyclopropylmethyl)-1-(furan-3-ylmethyl)-4-methoxy-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 124788912
(3aS,6aR)-1-benzyl-4-(2-morpholin-4-ylethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 124788674
1-(furan-3-ylmethyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102677830

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-1-(furan-3-ylmethyl)-4-methyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
The IUPAC name of (3aS,6aS)-1-(furan-3-ylmethyl)-4-methyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one (CID 98819488) is (3aS,6aS)-1-(furan-3-ylmethyl)-4-methyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one.
What is the SMILES notation for (3aS,6aS)-1-(furan-3-ylmethyl)-4-methyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
The canonical SMILES for (3aS,6aS)-1-(furan-3-ylmethyl)-4-methyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one is CN1C(=O)C[C@H]2[C@@H]1CCN2Cc1ccoc1.
What is the InChIKey of (3aS,6aS)-1-(furan-3-ylmethyl)-4-methyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
The InChIKey is IEYZUUNCLCAFFI-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-13-10-2-4-14(11(10)6-12(13)15)7-9-3-5-16-8-9/h3,5,8,10-11H,2,4,6-7H2,1H3/t10-,11-/m0/s1.
What are the key properties of (3aS,6aS)-1-(furan-3-ylmethyl)-4-methyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
(3aS,6aS)-1-(furan-3-ylmethyl)-4-methyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one has a molecular weight of 220.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-1-(furan-3-ylmethyl)-4-methyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one is sourced from PubChem (CID 98819488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).