1-[(3aR,6aR)-1-cyclopropyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]ethanone

C11H18N2O — CID 89482515

IUPAC1-[(3aR,6aR)-1-cyclopropyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]ethanone
SMILESCC(=O)N1C[C@H]2CCN(C3CC3)[C@H]2C1
InChIInChI=1S/C11H18N2O/c1-8(14)12-6-9-4-5-13(10-2-3-10)11(9)7-12/h9-11H,2-7H2,1H3/t9-,11+/m1/s1
InChIKeyHVDJKYBABVRDGB-KOLCDFICSA-N
MW194.28 g/mol
LogP0.70
Rot. Bonds1

About 1-[(3aR,6aR)-1-cyclopropyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]ethanone

1-[(3aR,6aR)-1-cyclopropyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]ethanone (PubChem CID 89482515) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[(3aR,6aR)-1-cyclopropyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]ethanone.

Molecular Properties

Compound Name1-[(3aR,6aR)-1-cyclopropyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]ethanone
PubChem CID89482515
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-[(3aR,6aR)-1-cyclopropyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]ethanone
SMILESCC(=O)N1C[C@H]2CCN(C3CC3)[C@H]2C1
InChIInChI=1S/C11H18N2O/c1-8(14)12-6-9-4-5-13(10-2-3-10)11(9)7-12/h9-11H,2-7H2,1H3/t9-,11+/m1/s1
InChIKeyHVDJKYBABVRDGB-KOLCDFICSA-N
XLogP0.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]ethanone
CID 126758675
1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone
CID 70326972
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 73102563
1-(3-cyclopentylpiperidin-1-yl)ethanone
CID 91592675
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
1-[3-(azetidin-3-yl)piperidin-1-yl]ethanone
CID 166469294
1-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone
CID 70209663
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]ethanone;dihydrochloride
CID 119032040
ethyl 1-(4-cyano-4-phenylcyclohexyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole-5-carboxylate
CID 134431915
1-methoxy-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylic acid
CID 68786642
1-(1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-5-yl)ethanone
CID 126758745
1-(5-methanidyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl)ethanone
CID 59704487

Frequently Asked Questions

What is the IUPAC name of 1-[(3aR,6aR)-1-cyclopropyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]ethanone?
The IUPAC name of 1-[(3aR,6aR)-1-cyclopropyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]ethanone (CID 89482515) is 1-[(3aR,6aR)-1-cyclopropyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]ethanone.
What is the SMILES notation for 1-[(3aR,6aR)-1-cyclopropyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]ethanone?
The canonical SMILES for 1-[(3aR,6aR)-1-cyclopropyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]ethanone is CC(=O)N1C[C@H]2CCN(C3CC3)[C@H]2C1.
What is the InChIKey of 1-[(3aR,6aR)-1-cyclopropyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]ethanone?
The InChIKey is HVDJKYBABVRDGB-KOLCDFICSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(14)12-6-9-4-5-13(10-2-3-10)11(9)7-12/h9-11H,2-7H2,1H3/t9-,11+/m1/s1.
What are the key properties of 1-[(3aR,6aR)-1-cyclopropyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]ethanone?
1-[(3aR,6aR)-1-cyclopropyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]ethanone has a molecular weight of 194.28 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aR,6aR)-1-cyclopropyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]ethanone is sourced from PubChem (CID 89482515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).