1-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-cyclopropylethanone

C11H18N2O — CID 97377184

IUPAC1-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-cyclopropylethanone
SMILESO=C(CC1CC1)N1C[C@H]2CCN[C@H]2C1
InChIInChI=1S/C11H18N2O/c14-11(5-8-1-2-8)13-6-9-3-4-12-10(9)7-13/h8-10,12H,1-7H2/t9-,10+/m1/s1
InChIKeyUJLMQYCGYGVEFV-ZJUUUORDSA-N
MW194.28 g/mol
LogP0.61
Rot. Bonds2

About 1-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-cyclopropylethanone

1-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-cyclopropylethanone (PubChem CID 97377184) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-cyclopropylethanone.

Molecular Properties

Compound Name1-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-cyclopropylethanone
PubChem CID97377184
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-cyclopropylethanone
SMILESO=C(CC1CC1)N1C[C@H]2CCN[C@H]2C1
InChIInChI=1S/C11H18N2O/c14-11(5-8-1-2-8)13-6-9-3-4-12-10(9)7-13/h8-10,12H,1-7H2/t9-,10+/m1/s1
InChIKeyUJLMQYCGYGVEFV-ZJUUUORDSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-cyclopropylethanone with MolForge

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Related Compounds

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S,2R)-2-methylcyclopropyl]methanone
CID 71682670
Laburnamine
CID 23251657
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(cyclopropyl)methanone
CID 44223074
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1R,2S)-2-methylcyclopropyl]methanone
CID 71682669
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1R,2R)-2-methylcyclopropyl]methanone
CID 71682671
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S,2S)-2-methylcyclopropyl]methanone
CID 71682672
1-(cis-Hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl)-3,3-dimethylbutan-1-one
CID 96399495
1-(cis-Hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl)-4-methylpentan-1-one
CID 96402707
3,3,3-Trifluoro-1-(cis-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl)propan-1-one
CID 97377186
rac-(3aR,6aR)-octahydropyrrolo[2,3-c]pyrrol-2-one dihydrochloride, cis
CID 167724160
Hexahydropyrrolo[3,4-b]pyrrol-6(1h)-one
CID 67386683
1-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-2-(1-methylcyclopropyl)ethanone
CID 137955746

Frequently Asked Questions

What is the IUPAC name of 1-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-cyclopropylethanone?
The IUPAC name of 1-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-cyclopropylethanone (CID 97377184) is 1-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-cyclopropylethanone.
What is the SMILES notation for 1-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-cyclopropylethanone?
The canonical SMILES for 1-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-cyclopropylethanone is O=C(CC1CC1)N1C[C@H]2CCN[C@H]2C1.
What is the InChIKey of 1-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-cyclopropylethanone?
The InChIKey is UJLMQYCGYGVEFV-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H18N2O/c14-11(5-8-1-2-8)13-6-9-3-4-12-10(9)7-13/h8-10,12H,1-7H2/t9-,10+/m1/s1.
What are the key properties of 1-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-cyclopropylethanone?
1-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-cyclopropylethanone has a molecular weight of 194.28 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-cyclopropylethanone is sourced from PubChem (CID 97377184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).