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

C18H28N2O — CID 43595420

IUPAC1-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone
SMILESCC1CC2CNCC2N1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H28N2O/c1-11-2-15-9-19-10-16(15)20(11)17(21)18-6-12-3-13(7-18)5-14(4-12)8-18/h11-16,19H,2-10H2,1H3
InChIKeySONZMBJJMKUFHN-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.41
Rot. Bonds1

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

1-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone (PubChem CID 43595420) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone
PubChem CID43595420
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone
SMILESCC1CC2CNCC2N1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H28N2O/c1-11-2-15-9-19-10-16(15)20(11)17(21)18-6-12-3-13(7-18)5-14(4-12)8-18/h11-16,19H,2-10H2,1H3
InChIKeySONZMBJJMKUFHN-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-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

Related Compounds

2-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone
CID 81099765
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1-adamantyl)methanone
CID 66212965
(E)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)but-2-en-1-one
CID 43595498
(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-pyrrolidin-1-ylmethanone
CID 79161537
azepan-1-yl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 79151943
N-cyclopropyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
CID 62697979
1-[(2R,3aS,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-(3-methylcyclohexyl)ethanone
CID 166250727
2-methylpropyl (2R,3aS,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxylate
CID 99949268
1-adamantyl-(3,5-dimethylmorpholin-4-yl)methanone
CID 110292363
(3,5-difluorophenyl)-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 43595623
(2,6-difluorophenyl)-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 43595615
1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-(oxolan-2-yl)ethanone
CID 65160130

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone?
The IUPAC name of 1-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone (CID 43595420) is 1-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 1-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone?
The canonical SMILES for 1-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone is CC1CC2CNCC2N1C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone?
The InChIKey is SONZMBJJMKUFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-11-2-15-9-19-10-16(15)20(11)17(21)18-6-12-3-13(7-18)5-14(4-12)8-18/h11-16,19H,2-10H2,1H3.
What are the key properties of 1-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone?
1-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 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone is sourced from PubChem (CID 43595420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).