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

C14H24N2O2 — CID 169228921

IUPAC1-[2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
SMILESCCC(=O)N1CC2CN(CC3(CO)CC3)CC2C1
InChIInChI=1S/C14H24N2O2/c1-2-13(18)16-7-11-5-15(6-12(11)8-16)9-14(10-17)3-4-14/h11-12,17H,2-10H2,1H3
InChIKeyIMQSEVZGLGVCJQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.56
Rot. Bonds4

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

1-[2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one (PubChem CID 169228921) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 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 Name1-[2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
PubChem CID169228921
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
SMILESCCC(=O)N1CC2CN(CC3(CO)CC3)CC2C1
InChIInChI=1S/C14H24N2O2/c1-2-13(18)16-7-11-5-15(6-12(11)8-16)9-14(10-17)3-4-14/h11-12,17H,2-10H2,1H3
InChIKeyIMQSEVZGLGVCJQ-UHFFFAOYSA-N
XLogP0.56
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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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
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
Ethane;methane;[1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol
CID 178038334
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-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 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 1-[2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one (CID 169228921) is 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 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 1-[2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one is CCC(=O)N1CC2CN(CC3(CO)CC3)CC2C1.
What is the InChIKey of 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 IMQSEVZGLGVCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-13(18)16-7-11-5-15(6-12(11)8-16)9-14(10-17)3-4-14/h11-12,17H,2-10H2,1H3.
What are the key properties of 1-[2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one?
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 252.36 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 169228921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).