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

C17H26N2O — CID 66212965

IUPAC2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1-adamantyl)methanone
SMILESO=C(N1CC2CNCC2C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H26N2O/c20-16(19-9-14-7-18-8-15(14)10-19)17-4-11-1-12(5-17)3-13(2-11)6-17/h11-15,18H,1-10H2
InChIKeyNOUXGBWUZYVIRD-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.88
Rot. Bonds1

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

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1-adamantyl)methanone (PubChem CID 66212965) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1-adamantyl)methanone.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1-adamantyl)methanone
PubChem CID66212965
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1-adamantyl)methanone
SMILESO=C(N1CC2CNCC2C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H26N2O/c20-16(19-9-14-7-18-8-15(14)10-19)17-4-11-1-12(5-17)3-13(2-11)6-17/h11-15,18H,1-10H2
InChIKeyNOUXGBWUZYVIRD-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(1-adamantyl)ethanone;hydrochloride
CID 120659927
1-adamantyl(piperazin-1-yl)methanone;hydrochloride
CID 17233942
1-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone
CID 43595420
1-adamantyl(azepan-1-yl)methanone
CID 2838808
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-benzyl-2-bicyclo[2.2.1]heptanyl)methanone
CID 120655774
1-adamantyl(1,3-thiazolidin-3-yl)methanone
CID 122332032
1-adamantyl(1,4,7,10,13,16-hexaoxa-19-azacyclohenicos-19-yl)methanone
CID 19387509
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-propylcyclopropyl)methanone;hydrochloride
CID 120658201
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]ethanone;dihydrochloride
CID 119032040
1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride
CID 110204181
N-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-1-adamantyl]acetamide
CID 75425842
1-adamantyl-[3-(bromomethyl)pyrrolidin-1-yl]methanone
CID 80667233

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1-adamantyl)methanone?
The IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1-adamantyl)methanone (CID 66212965) is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1-adamantyl)methanone.
What is the SMILES notation for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1-adamantyl)methanone?
The canonical SMILES for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1-adamantyl)methanone is O=C(N1CC2CNCC2C1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1-adamantyl)methanone?
The InChIKey is NOUXGBWUZYVIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c20-16(19-9-14-7-18-8-15(14)10-19)17-4-11-1-12(5-17)3-13(2-11)6-17/h11-15,18H,1-10H2.
What are the key properties of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1-adamantyl)methanone?
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1-adamantyl)methanone has a molecular weight of 274.41 g/mol, XLogP of 1.88, 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(1-adamantyl)methanone is sourced from PubChem (CID 66212965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).