[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

C17H18N2O — CID 95774767

IUPAC[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESC[C@H]1c2cccn2CCN1C(=O)[C@@H]1Cc2ccccc21
InChIInChI=1S/C17H18N2O/c1-12-16-7-4-8-18(16)9-10-19(12)17(20)15-11-13-5-2-3-6-14(13)15/h2-8,12,15H,9-11H2,1H3/t12-,15+/m0/s1
InChIKeyNLTQDLDBLBLOAC-SWLSCSKDSA-N
MW266.34 g/mol
LogP2.73
Rot. Bonds1

About [(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (PubChem CID 95774767) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is [(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
PubChem CID95774767
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESC[C@H]1c2cccn2CCN1C(=O)[C@@H]1Cc2ccccc21
InChIInChI=1S/C17H18N2O/c1-12-16-7-4-8-18(16)9-10-19(12)17(20)15-11-13-5-2-3-6-14(13)15/h2-8,12,15H,9-11H2,1H3/t12-,15+/m0/s1
InChIKeyNLTQDLDBLBLOAC-SWLSCSKDSA-N
XLogP2.73
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The IUPAC name of [(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (CID 95774767) is [(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.
What is the SMILES notation for [(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The canonical SMILES for [(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is C[C@H]1c2cccn2CCN1C(=O)[C@@H]1Cc2ccccc21.
What is the InChIKey of [(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The InChIKey is NLTQDLDBLBLOAC-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-16-7-4-8-18(16)9-10-19(12)17(20)15-11-13-5-2-3-6-14(13)15/h2-8,12,15H,9-11H2,1H3/t12-,15+/m0/s1.
What are the key properties of [(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone has a molecular weight of 266.34 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is sourced from PubChem (CID 95774767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).