(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(oxan-4-yl)methanone

C14H24N2O2 — CID 66241690

IUPAC(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(oxan-4-yl)methanone
SMILESCC1(C)C2CNCC2CN1C(=O)C1CCOCC1
InChIInChI=1S/C14H24N2O2/c1-14(2)12-8-15-7-11(12)9-16(14)13(17)10-3-5-18-6-4-10/h10-12,15H,3-9H2,1-2H3
InChIKeyKYFUBNNSSWGMLY-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.87
Rot. Bonds1

About (4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(oxan-4-yl)methanone

(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(oxan-4-yl)methanone (PubChem CID 66241690) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(oxan-4-yl)methanone
PubChem CID66241690
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(oxan-4-yl)methanone
SMILESCC1(C)C2CNCC2CN1C(=O)C1CCOCC1
InChIInChI=1S/C14H24N2O2/c1-14(2)12-8-15-7-11(12)9-16(14)13(17)10-3-5-18-6-4-10/h10-12,15H,3-9H2,1-2H3
InChIKeyKYFUBNNSSWGMLY-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl)-1,3-thiazolidin-2-one
CID 66244604
1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2,3-dimethylbutan-1-one
CID 66244795
1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(oxolan-2-yl)propan-1-one
CID 66244385
2,3-dihydro-1-benzofuran-3-yl-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66244794
(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 66244181
1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-methylpentan-1-one
CID 66242522
(2,6-dimethylpiperazin-1-yl)-(oxan-4-yl)methanone
CID 63911588
(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(1,2-oxazol-5-yl)methanone
CID 66242939
(2,6-dihydroxyphenyl)-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 107690357
(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(3,5-dimethylphenyl)methanone
CID 66242530
1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-phenylethanone
CID 66243746
(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(5-fluoro-2-pyridinyl)methanone
CID 104639319

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(oxan-4-yl)methanone?
The IUPAC name of (4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(oxan-4-yl)methanone (CID 66241690) is (4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for (4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(oxan-4-yl)methanone?
The canonical SMILES for (4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(oxan-4-yl)methanone is CC1(C)C2CNCC2CN1C(=O)C1CCOCC1.
What is the InChIKey of (4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(oxan-4-yl)methanone?
The InChIKey is KYFUBNNSSWGMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2)12-8-15-7-11(12)9-16(14)13(17)10-3-5-18-6-4-10/h10-12,15H,3-9H2,1-2H3.
What are the key properties of (4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(oxan-4-yl)methanone?
(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(oxan-4-yl)methanone has a molecular weight of 252.36 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(oxan-4-yl)methanone is sourced from PubChem (CID 66241690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).