ethane;1-[2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one

C16H30N2O2 — CID 169228920

IUPACethane;1-[2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
SMILESCC.CCC(=O)N1CC2CN(CC3(CO)CC3)CC2C1
InChIInChI=1S/C14H24N2O2.C2H6/c1-2-13(18)16-7-11-5-15(6-12(11)8-16)9-14(10-17)3-4-14;1-2/h11-12,17H,2-10H2,1H3;1-2H3
InChIKeyARJXCNRCYJUXPF-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.59
Rot. Bonds4

About ethane;1-[2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one

ethane;1-[2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one (PubChem CID 169228920) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is ethane;1-[2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one.

Molecular Properties

Compound Nameethane;1-[2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
PubChem CID169228920
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nameethane;1-[2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
SMILESCC.CCC(=O)N1CC2CN(CC3(CO)CC3)CC2C1
InChIInChI=1S/C14H24N2O2.C2H6/c1-2-13(18)16-7-11-5-15(6-12(11)8-16)9-14(10-17)3-4-14;1-2/h11-12,17H,2-10H2,1H3;1-2H3
InChIKeyARJXCNRCYJUXPF-UHFFFAOYSA-N
XLogP1.59
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[[1-(Methoxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 170278454
1-[2-[[1-(Methoxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone
CID 178012412
1-[(3aS,6aS)-3a-(hydroxymethyl)-5-(2-methylpropanoyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-4-methylpentan-1-one
CID 137961513
1-[2-[[1-(Hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 169228921
[1-[(2-Methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol
CID 178038335

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one?
The IUPAC name of 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) is ethane;1-[2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one.
What is the SMILES notation for ethane;1-[2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one?
The canonical SMILES for ethane;1-[2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one is CC.CCC(=O)N1CC2CN(CC3(CO)CC3)CC2C1.
What is the InChIKey of ethane;1-[2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one?
The InChIKey is ARJXCNRCYJUXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2.C2H6/c1-2-13(18)16-7-11-5-15(6-12(11)8-16)9-14(10-17)3-4-14;1-2/h11-12,17H,2-10H2,1H3;1-2H3.
What are the key properties of ethane;1-[2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one?
ethane;1-[2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one has a molecular weight of 282.43 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one is sourced from PubChem (CID 169228920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).