ethane;[2-(4-methylphenyl)cyclopropyl]-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone

C25H32N2O — CID 157444216

IUPACethane;[2-(4-methylphenyl)cyclopropyl]-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
SMILESCC.Cc1ccc(C2CC2C(=O)N2CC3CN(c4ccccc4)CC3C2)cc1
InChIInChI=1S/C23H26N2O.C2H6/c1-16-7-9-17(10-8-16)21-11-22(21)23(26)25-14-18-12-24(13-19(18)15-25)20-5-3-2-4-6-20;1-2/h2-10,18-19,21-22H,11-15H2,1H3;1-2H3
InChIKeyBSAJHGFJSQKUKF-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.72
Rot. Bonds3

About ethane;[2-(4-methylphenyl)cyclopropyl]-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone

ethane;[2-(4-methylphenyl)cyclopropyl]-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone (PubChem CID 157444216) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is ethane;[2-(4-methylphenyl)cyclopropyl]-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone.

Molecular Properties

Compound Nameethane;[2-(4-methylphenyl)cyclopropyl]-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
PubChem CID157444216
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC Nameethane;[2-(4-methylphenyl)cyclopropyl]-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
SMILESCC.Cc1ccc(C2CC2C(=O)N2CC3CN(c4ccccc4)CC3C2)cc1
InChIInChI=1S/C23H26N2O.C2H6/c1-16-7-9-17(10-8-16)21-11-22(21)23(26)25-14-18-12-24(13-19(18)15-25)20-5-3-2-4-6-20;1-2/h2-10,18-19,21-22H,11-15H2,1H3;1-2H3
InChIKeyBSAJHGFJSQKUKF-UHFFFAOYSA-N
XLogP4.72
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;[2-(4-methylphenyl)cyclopropyl]-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone with MolForge

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Related Compounds

2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 23423017
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
(3S,4R)-1,4-diphenylpyrrolidine-3-carboxylic acid
CID 162471093
(4-fluorophenyl)-[(3S,4R)-4-(4-methylphenyl)-1-phenylpyrrolidin-3-yl]methanone
CID 1481125
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanone
CID 170230570
1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone
CID 39057983
(3S,4R)-1-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 124669579
(4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 114501442
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
4-tert-butyl-2-(4-methylphenyl)cyclohexane-1-carboxylic acid
CID 81020836
(3S,4S)-4-methyl-1-[2-(4-methylphenyl)oxane-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120951929
(3S,4S)-1-benzyl-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 124708767

Frequently Asked Questions

What is the IUPAC name of ethane;[2-(4-methylphenyl)cyclopropyl]-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone?
The IUPAC name of ethane;[2-(4-methylphenyl)cyclopropyl]-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone (CID 157444216) is ethane;[2-(4-methylphenyl)cyclopropyl]-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone.
What is the SMILES notation for ethane;[2-(4-methylphenyl)cyclopropyl]-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone?
The canonical SMILES for ethane;[2-(4-methylphenyl)cyclopropyl]-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone is CC.Cc1ccc(C2CC2C(=O)N2CC3CN(c4ccccc4)CC3C2)cc1.
What is the InChIKey of ethane;[2-(4-methylphenyl)cyclopropyl]-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone?
The InChIKey is BSAJHGFJSQKUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O.C2H6/c1-16-7-9-17(10-8-16)21-11-22(21)23(26)25-14-18-12-24(13-19(18)15-25)20-5-3-2-4-6-20;1-2/h2-10,18-19,21-22H,11-15H2,1H3;1-2H3.
What are the key properties of ethane;[2-(4-methylphenyl)cyclopropyl]-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone?
ethane;[2-(4-methylphenyl)cyclopropyl]-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone has a molecular weight of 376.54 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-(4-methylphenyl)cyclopropyl]-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone is sourced from PubChem (CID 157444216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).