4-hydroxy-1,7,8,9-tetrahydrocyclopenta[h][1]benzazepine-2,5-dione

C13H11NO3 — CID 54734935

IUPAC4-hydroxy-1,7,8,9-tetrahydrocyclopenta[h][1]benzazepine-2,5-dione
SMILESO=c1cc(O)c(=O)c2cc3c(cc2[nH]1)CCC3
InChIInChI=1S/C13H11NO3/c15-11-6-12(16)14-10-5-8-3-1-2-7(8)4-9(10)13(11)17/h4-6H,1-3H2,(H,14,16)(H,15,17)
InChIKeyHGHMGDFVWRTSAH-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.08
Rot. Bonds

About 4-hydroxy-1,7,8,9-tetrahydrocyclopenta[h][1]benzazepine-2,5-dione

4-hydroxy-1,7,8,9-tetrahydrocyclopenta[h][1]benzazepine-2,5-dione (PubChem CID 54734935) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is 4-hydroxy-1,7,8,9-tetrahydrocyclopenta[h][1]benzazepine-2,5-dione.

Molecular Properties

Compound Name4-hydroxy-1,7,8,9-tetrahydrocyclopenta[h][1]benzazepine-2,5-dione
PubChem CID54734935
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name4-hydroxy-1,7,8,9-tetrahydrocyclopenta[h][1]benzazepine-2,5-dione
SMILESO=c1cc(O)c(=O)c2cc3c(cc2[nH]1)CCC3
InChIInChI=1S/C13H11NO3/c15-11-6-12(16)14-10-5-8-3-1-2-7(8)4-9(10)13(11)17/h4-6H,1-3H2,(H,14,16)(H,15,17)
InChIKeyHGHMGDFVWRTSAH-UHFFFAOYSA-N
XLogP1.08
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,7,8,9-tetrahydrocyclopenta[h][1]benzazepine-2,5-dione?
The IUPAC name of 4-hydroxy-1,7,8,9-tetrahydrocyclopenta[h][1]benzazepine-2,5-dione (CID 54734935) is 4-hydroxy-1,7,8,9-tetrahydrocyclopenta[h][1]benzazepine-2,5-dione.
What is the SMILES notation for 4-hydroxy-1,7,8,9-tetrahydrocyclopenta[h][1]benzazepine-2,5-dione?
The canonical SMILES for 4-hydroxy-1,7,8,9-tetrahydrocyclopenta[h][1]benzazepine-2,5-dione is O=c1cc(O)c(=O)c2cc3c(cc2[nH]1)CCC3.
What is the InChIKey of 4-hydroxy-1,7,8,9-tetrahydrocyclopenta[h][1]benzazepine-2,5-dione?
The InChIKey is HGHMGDFVWRTSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-11-6-12(16)14-10-5-8-3-1-2-7(8)4-9(10)13(11)17/h4-6H,1-3H2,(H,14,16)(H,15,17).
What are the key properties of 4-hydroxy-1,7,8,9-tetrahydrocyclopenta[h][1]benzazepine-2,5-dione?
4-hydroxy-1,7,8,9-tetrahydrocyclopenta[h][1]benzazepine-2,5-dione has a molecular weight of 229.23 g/mol, XLogP of 1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,7,8,9-tetrahydrocyclopenta[h][1]benzazepine-2,5-dione is sourced from PubChem (CID 54734935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).