(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(oxan-4-yl)methanone

C13H22N2O2 — CID 43595381

IUPAC(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(oxan-4-yl)methanone
SMILESCC1CC2CNCC2N1C(=O)C1CCOCC1
InChIInChI=1S/C13H22N2O2/c1-9-6-11-7-14-8-12(11)15(9)13(16)10-2-4-17-5-3-10/h9-12,14H,2-8H2,1H3
InChIKeyMGSXPVOYOPWKOT-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.62
Rot. Bonds1

About (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(oxan-4-yl)methanone

(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(oxan-4-yl)methanone (PubChem CID 43595381) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(oxan-4-yl)methanone
PubChem CID43595381
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(oxan-4-yl)methanone
SMILESCC1CC2CNCC2N1C(=O)C1CCOCC1
InChIInChI=1S/C13H22N2O2/c1-9-6-11-7-14-8-12(11)15(9)13(16)10-2-4-17-5-3-10/h9-12,14H,2-8H2,1H3
InChIKeyMGSXPVOYOPWKOT-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(oxan-4-yl)methanone?
The IUPAC name of (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(oxan-4-yl)methanone (CID 43595381) is (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(oxan-4-yl)methanone?
The canonical SMILES for (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(oxan-4-yl)methanone is CC1CC2CNCC2N1C(=O)C1CCOCC1.
What is the InChIKey of (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(oxan-4-yl)methanone?
The InChIKey is MGSXPVOYOPWKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9-6-11-7-14-8-12(11)15(9)13(16)10-2-4-17-5-3-10/h9-12,14H,2-8H2,1H3.
What are the key properties of (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(oxan-4-yl)methanone?
(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(oxan-4-yl)methanone has a molecular weight of 238.33 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(oxan-4-yl)methanone is sourced from PubChem (CID 43595381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).