2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone

C15H18N2O — CID 66396346

IUPAC2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
SMILESO=C(C1Cc2ccccc21)N1CC2CNCC2C1
InChIInChI=1S/C15H18N2O/c18-15(14-5-10-3-1-2-4-13(10)14)17-8-11-6-16-7-12(11)9-17/h1-4,11-12,14,16H,5-9H2
InChIKeyBIIUPWZHSBCRDJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.00
Rot. Bonds1

About 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone (PubChem CID 66396346) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
PubChem CID66396346
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
SMILESO=C(C1Cc2ccccc21)N1CC2CNCC2C1
InChIInChI=1S/C15H18N2O/c18-15(14-5-10-3-1-2-4-13(10)14)17-8-11-6-16-7-12(11)9-17/h1-4,11-12,14,16H,5-9H2
InChIKeyBIIUPWZHSBCRDJ-UHFFFAOYSA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone with MolForge

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Related Compounds

(hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(phenyl)methanone
CID 58312740
1-phenyl-N-[(1-propylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 53530498
1-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2,3-diphenylpropan-1-one
CID 71453412
1-(cis-Hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl)-3-phenylpropan-1-one
CID 97377166
2-(4-Fluorophenyl)-1-(cis-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl)ethanone
CID 97377167
1-[3-(Aminomethyl)pyrrolidin-1-yl]-2-phenylethan-1-one
CID 62062325
4-(2-methylphenyl)-1-(2-methylpropanoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 42681071
N-methyl-2-[2-(2-methylphenyl)acetyl]-2-azaspiro[4.4]nonane-4-carboxamide
CID 86771688
(3aS,6aR)-5-(2-phenylethyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 99905419
2-(2-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 55249382
3-Amino-1-(6-azaspiro[3.4]octan-6-yl)-2-phenylpropan-1-one
CID 75495980
(2S)-3-amino-1-(azocan-1-yl)-2-phenylpropan-1-one
CID 94888722

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone?
The IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone (CID 66396346) is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone.
What is the SMILES notation for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone?
The canonical SMILES for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone is O=C(C1Cc2ccccc21)N1CC2CNCC2C1.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone?
The InChIKey is BIIUPWZHSBCRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c18-15(14-5-10-3-1-2-4-13(10)14)17-8-11-6-16-7-12(11)9-17/h1-4,11-12,14,16H,5-9H2.
What are the key properties of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone?
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone has a molecular weight of 242.32 g/mol, XLogP of 1.00, 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(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone is sourced from PubChem (CID 66396346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).