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

C16H28N2O2 — CID 103165034

IUPAC1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)N2CC3CNCC3C2(C)C)C1
InChIInChI=1S/C16H28N2O2/c1-4-20-13-5-11(6-13)7-15(19)18-10-12-8-17-9-14(12)16(18,2)3/h11-14,17H,4-10H2,1-3H3
InChIKeyUDUNACJOIJDGAJ-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.65
Rot. Bonds4

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

1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-(3-ethoxycyclobutyl)ethanone (PubChem CID 103165034) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-(3-ethoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-(3-ethoxycyclobutyl)ethanone
PubChem CID103165034
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)N2CC3CNCC3C2(C)C)C1
InChIInChI=1S/C16H28N2O2/c1-4-20-13-5-11(6-13)7-15(19)18-10-12-8-17-9-14(12)16(18,2)3/h11-14,17H,4-10H2,1-3H3
InChIKeyUDUNACJOIJDGAJ-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-(3-ethoxycyclobutyl)ethanone?
The IUPAC name of 1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-(3-ethoxycyclobutyl)ethanone (CID 103165034) is 1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-(3-ethoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-(3-ethoxycyclobutyl)ethanone?
The canonical SMILES for 1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-(3-ethoxycyclobutyl)ethanone is CCOC1CC(CC(=O)N2CC3CNCC3C2(C)C)C1.
What is the InChIKey of 1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-(3-ethoxycyclobutyl)ethanone?
The InChIKey is UDUNACJOIJDGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-20-13-5-11(6-13)7-15(19)18-10-12-8-17-9-14(12)16(18,2)3/h11-14,17H,4-10H2,1-3H3.
What are the key properties of 1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-(3-ethoxycyclobutyl)ethanone?
1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-(3-ethoxycyclobutyl)ethanone has a molecular weight of 280.41 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-(3-ethoxycyclobutyl)ethanone is sourced from PubChem (CID 103165034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).