2-[2-[(3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethoxy]benzonitrile

C19H20N4O3 — CID 154768120

IUPAC2-[2-[(3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethoxy]benzonitrile
SMILESCc1nnc([C@]23CCC[C@H]2CN(C(=O)COc2ccccc2C#N)C3)o1
InChIInChI=1S/C19H20N4O3/c1-13-21-22-18(26-13)19-8-4-6-15(19)10-23(12-19)17(24)11-25-16-7-3-2-5-14(16)9-20/h2-3,5,7,15H,4,6,8,10-12H2,1H3/t15-,19-/m0/s1
InChIKeyRRSIIDQUPDFIDI-KXBFYZLASA-N
MW352.39 g/mol
LogP2.21
Rot. Bonds4

About 2-[2-[(3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethoxy]benzonitrile

2-[2-[(3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethoxy]benzonitrile (PubChem CID 154768120) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[2-[(3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-[(3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethoxy]benzonitrile
PubChem CID154768120
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-[2-[(3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethoxy]benzonitrile
SMILESCc1nnc([C@]23CCC[C@H]2CN(C(=O)COc2ccccc2C#N)C3)o1
InChIInChI=1S/C19H20N4O3/c1-13-21-22-18(26-13)19-8-4-6-15(19)10-23(12-19)17(24)11-25-16-7-3-2-5-14(16)9-20/h2-3,5,7,15H,4,6,8,10-12H2,1H3/t15-,19-/m0/s1
InChIKeyRRSIIDQUPDFIDI-KXBFYZLASA-N
XLogP2.21
TPSA92.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethoxy]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethoxy]benzonitrile?
The IUPAC name of 2-[2-[(3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethoxy]benzonitrile (CID 154768120) is 2-[2-[(3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethoxy]benzonitrile.
What is the SMILES notation for 2-[2-[(3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethoxy]benzonitrile?
The canonical SMILES for 2-[2-[(3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethoxy]benzonitrile is Cc1nnc([C@]23CCC[C@H]2CN(C(=O)COc2ccccc2C#N)C3)o1.
What is the InChIKey of 2-[2-[(3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethoxy]benzonitrile?
The InChIKey is RRSIIDQUPDFIDI-KXBFYZLASA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13-21-22-18(26-13)19-8-4-6-15(19)10-23(12-19)17(24)11-25-16-7-3-2-5-14(16)9-20/h2-3,5,7,15H,4,6,8,10-12H2,1H3/t15-,19-/m0/s1.
What are the key properties of 2-[2-[(3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethoxy]benzonitrile?
2-[2-[(3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethoxy]benzonitrile has a molecular weight of 352.39 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethoxy]benzonitrile is sourced from PubChem (CID 154768120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).