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

C18H28N2O — CID 81099765

IUPAC2-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone
SMILESCC1CC2CNCC2N1C(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H28N2O/c1-10-2-15-8-19-9-16(15)20(10)18(21)17-13-4-11-3-12(6-13)7-14(17)5-11/h10-17,19H,2-9H2,1H3
InChIKeyREWOBARQCAWQAT-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.27
Rot. Bonds1

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

2-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone (PubChem CID 81099765) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone.

Molecular Properties

Compound Name2-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone
PubChem CID81099765
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone
SMILESCC1CC2CNCC2N1C(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H28N2O/c1-10-2-15-8-19-9-16(15)20(10)18(21)17-13-4-11-3-12(6-13)7-14(17)5-11/h10-17,19H,2-9H2,1H3
InChIKeyREWOBARQCAWQAT-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone?
The IUPAC name of 2-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone (CID 81099765) is 2-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone.
What is the SMILES notation for 2-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone?
The canonical SMILES for 2-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone is CC1CC2CNCC2N1C(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone?
The InChIKey is REWOBARQCAWQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-10-2-15-8-19-9-16(15)20(10)18(21)17-13-4-11-3-12(6-13)7-14(17)5-11/h10-17,19H,2-9H2,1H3.
What are the key properties of 2-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone?
2-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone has a molecular weight of 288.44 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone is sourced from PubChem (CID 81099765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).