2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S,2S)-2-methylcyclopropyl]methanone

C11H18N2O — CID 71682672

IUPAC2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S,2S)-2-methylcyclopropyl]methanone
SMILESC[C@H]1C[C@@H]1C(=O)N1CC2CNCC2C1
InChIInChI=1S/C11H18N2O/c1-7-2-10(7)11(14)13-5-8-3-12-4-9(8)6-13/h7-10,12H,2-6H2,1H3/t7-,8?,9?,10-/m0/s1
InChIKeyHFIMLFRJUJSWHZ-NFTFJBJSSA-N
MW194.28 g/mol
LogP0.32
Rot. Bonds1

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

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S,2S)-2-methylcyclopropyl]methanone (PubChem CID 71682672) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S,2S)-2-methylcyclopropyl]methanone.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S,2S)-2-methylcyclopropyl]methanone
PubChem CID71682672
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S,2S)-2-methylcyclopropyl]methanone
SMILESC[C@H]1C[C@@H]1C(=O)N1CC2CNCC2C1
InChIInChI=1S/C11H18N2O/c1-7-2-10(7)11(14)13-5-8-3-12-4-9(8)6-13/h7-10,12H,2-6H2,1H3/t7-,8?,9?,10-/m0/s1
InChIKeyHFIMLFRJUJSWHZ-NFTFJBJSSA-N
XLogP0.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S,2S)-2-methylcyclopropyl]methanone?
The IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S,2S)-2-methylcyclopropyl]methanone (CID 71682672) is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S,2S)-2-methylcyclopropyl]methanone.
What is the SMILES notation for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S,2S)-2-methylcyclopropyl]methanone?
The canonical SMILES for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S,2S)-2-methylcyclopropyl]methanone is C[C@H]1C[C@@H]1C(=O)N1CC2CNCC2C1.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S,2S)-2-methylcyclopropyl]methanone?
The InChIKey is HFIMLFRJUJSWHZ-NFTFJBJSSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7-2-10(7)11(14)13-5-8-3-12-4-9(8)6-13/h7-10,12H,2-6H2,1H3/t7-,8?,9?,10-/m0/s1.
What are the key properties of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S,2S)-2-methylcyclopropyl]methanone?
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S,2S)-2-methylcyclopropyl]methanone has a molecular weight of 194.28 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S,2S)-2-methylcyclopropyl]methanone is sourced from PubChem (CID 71682672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).