[(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-(3-phenyl-1-bicyclo[1.1.1]pentanyl)methanone

C20H25NO2 — CID 164642605

IUPAC[(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-(3-phenyl-1-bicyclo[1.1.1]pentanyl)methanone
SMILESCC1(C)CN(C(=O)C23CC(c4ccccc4)(C2)C3)[C@H]2COC[C@H]21
InChIInChI=1S/C20H25NO2/c1-18(2)13-21(16-9-23-8-15(16)18)17(22)20-10-19(11-20,12-20)14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3/t15-,16+,19?,20?/m1/s1
InChIKeyIMKQFUNCWRYUHJ-ZNVHBHFFSA-N
MW311.43 g/mol
LogP2.99
Rot. Bonds2

About [(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-(3-phenyl-1-bicyclo[1.1.1]pentanyl)methanone

[(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-(3-phenyl-1-bicyclo[1.1.1]pentanyl)methanone (PubChem CID 164642605) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is [(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-(3-phenyl-1-bicyclo[1.1.1]pentanyl)methanone.

Molecular Properties

Compound Name[(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-(3-phenyl-1-bicyclo[1.1.1]pentanyl)methanone
PubChem CID164642605
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name[(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-(3-phenyl-1-bicyclo[1.1.1]pentanyl)methanone
SMILESCC1(C)CN(C(=O)C23CC(c4ccccc4)(C2)C3)[C@H]2COC[C@H]21
InChIInChI=1S/C20H25NO2/c1-18(2)13-21(16-9-23-8-15(16)18)17(22)20-10-19(11-20,12-20)14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3/t15-,16+,19?,20?/m1/s1
InChIKeyIMKQFUNCWRYUHJ-ZNVHBHFFSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-(3-phenyl-1-bicyclo[1.1.1]pentanyl)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 [(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-(3-phenyl-1-bicyclo[1.1.1]pentanyl)methanone?
The IUPAC name of [(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-(3-phenyl-1-bicyclo[1.1.1]pentanyl)methanone (CID 164642605) is [(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-(3-phenyl-1-bicyclo[1.1.1]pentanyl)methanone.
What is the SMILES notation for [(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-(3-phenyl-1-bicyclo[1.1.1]pentanyl)methanone?
The canonical SMILES for [(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-(3-phenyl-1-bicyclo[1.1.1]pentanyl)methanone is CC1(C)CN(C(=O)C23CC(c4ccccc4)(C2)C3)[C@H]2COC[C@H]21.
What is the InChIKey of [(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-(3-phenyl-1-bicyclo[1.1.1]pentanyl)methanone?
The InChIKey is IMKQFUNCWRYUHJ-ZNVHBHFFSA-N. The full InChI is InChI=1S/C20H25NO2/c1-18(2)13-21(16-9-23-8-15(16)18)17(22)20-10-19(11-20,12-20)14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3/t15-,16+,19?,20?/m1/s1.
What are the key properties of [(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-(3-phenyl-1-bicyclo[1.1.1]pentanyl)methanone?
[(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-(3-phenyl-1-bicyclo[1.1.1]pentanyl)methanone has a molecular weight of 311.43 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-(3-phenyl-1-bicyclo[1.1.1]pentanyl)methanone is sourced from PubChem (CID 164642605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).