2-phenyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione

C14H12N2O2 — CID 102158953

IUPAC2-phenyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione
SMILESO=C1CCNC(=O)c2[nH]c(-c3ccccc3)cc21
InChIInChI=1S/C14H12N2O2/c17-12-6-7-15-14(18)13-10(12)8-11(16-13)9-4-2-1-3-5-9/h1-5,8,16H,6-7H2,(H,15,18)
InChIKeyXFSPJVIHTZLGBE-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.00
Rot. Bonds1

About 2-phenyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione

2-phenyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione (PubChem CID 102158953) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-phenyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione.

Molecular Properties

Compound Name2-phenyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione
PubChem CID102158953
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-phenyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione
SMILESO=C1CCNC(=O)c2[nH]c(-c3ccccc3)cc21
InChIInChI=1S/C14H12N2O2/c17-12-6-7-15-14(18)13-10(12)8-11(16-13)9-4-2-1-3-5-9/h1-5,8,16H,6-7H2,(H,15,18)
InChIKeyXFSPJVIHTZLGBE-UHFFFAOYSA-N
XLogP2.00
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethoxyphenyl)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione
CID 170859810
5-phenyl-3-thia-7,10-diazatricyclo[6.5.0.02,6]trideca-1(8),2(6),4-triene-9,13-dione
CID 170859808
2-[[4-(4-fluorophenyl)phenyl]methyl]-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione
CID 56970450
2-[[4-(4-chlorophenyl)phenyl]methyl]-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione
CID 56970663
2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;dihydrochloride
CID 169445506
2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid
CID 134324247
2,3-dihydro-1H-quinolin-4-one;ethane
CID 91530065
3-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 162687164
3-phenyl-2H-benzo[g]isoquinoline-1,5,10-trione
CID 101485547
3-cyclohexyl-2,5-diphenyl-1H-pyrrole
CID 13223945
4,6-diphenyl-1H-pyridin-2-one
CID 3846201
bis(3,5-diphenyl-1H-pyrrol-2-yl)methanone
CID 153465332

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione?
The IUPAC name of 2-phenyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione (CID 102158953) is 2-phenyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione.
What is the SMILES notation for 2-phenyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione?
The canonical SMILES for 2-phenyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione is O=C1CCNC(=O)c2[nH]c(-c3ccccc3)cc21.
What is the InChIKey of 2-phenyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione?
The InChIKey is XFSPJVIHTZLGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-12-6-7-15-14(18)13-10(12)8-11(16-13)9-4-2-1-3-5-9/h1-5,8,16H,6-7H2,(H,15,18).
What are the key properties of 2-phenyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione?
2-phenyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione has a molecular weight of 240.26 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione is sourced from PubChem (CID 102158953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).