1-[2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone

C14H24N2O2 — CID 178012412

IUPAC1-[2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone
SMILESCOCC1(CN2CC3CN(C(C)=O)CC3C2)CC1
InChIInChI=1S/C14H24N2O2/c1-11(17)16-7-12-5-15(6-13(12)8-16)9-14(3-4-14)10-18-2/h12-13H,3-10H2,1-2H3
InChIKeyUXCFUBGSBGZIBE-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.82
Rot. Bonds4

About 1-[2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone

1-[2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone (PubChem CID 178012412) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone
PubChem CID178012412
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone
SMILESCOCC1(CN2CC3CN(C(C)=O)CC3C2)CC1
InChIInChI=1S/C14H24N2O2/c1-11(17)16-7-12-5-15(6-13(12)8-16)9-14(3-4-14)10-18-2/h12-13H,3-10H2,1-2H3
InChIKeyUXCFUBGSBGZIBE-UHFFFAOYSA-N
XLogP0.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethane;1-[2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 169228920
3,3-Dimethyl-1-[2-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one
CID 169289992
1-[2-[[1-(Methoxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 170278454
3,3-Dimethyl-1-[2-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one
CID 170777503
5-[[1-(Ethoxymethyl)cyclopropyl]methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 174181870
1-[2-(2,2-Dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-methoxypropan-1-one
CID 134071375
1-[2-[[1-(Hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 169228921

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone?
The IUPAC name of 1-[2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone (CID 178012412) is 1-[2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone?
The canonical SMILES for 1-[2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone is COCC1(CN2CC3CN(C(C)=O)CC3C2)CC1.
What is the InChIKey of 1-[2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone?
The InChIKey is UXCFUBGSBGZIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(17)16-7-12-5-15(6-13(12)8-16)9-14(3-4-14)10-18-2/h12-13H,3-10H2,1-2H3.
What are the key properties of 1-[2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone?
1-[2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone has a molecular weight of 252.36 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone is sourced from PubChem (CID 178012412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).