3,4,5,6-tetrahydro-1H-1-benzazepine-2,7-dione

C10H11NO2 — CID 68739175

IUPAC3,4,5,6-tetrahydro-1H-1-benzazepine-2,7-dione
SMILESO=C1C=CC2=C(CCCC(=O)N2)C1
InChIInChI=1S/C10H11NO2/c12-8-4-5-9-7(6-8)2-1-3-10(13)11-9/h4-5H,1-3,6H2,(H,11,13)
InChIKeySUTAHILLLAEDFR-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.07
Rot. Bonds

About 3,4,5,6-tetrahydro-1H-1-benzazepine-2,7-dione

3,4,5,6-tetrahydro-1H-1-benzazepine-2,7-dione (PubChem CID 68739175) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3,4,5,6-tetrahydro-1H-1-benzazepine-2,7-dione.

Molecular Properties

Compound Name3,4,5,6-tetrahydro-1H-1-benzazepine-2,7-dione
PubChem CID68739175
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name3,4,5,6-tetrahydro-1H-1-benzazepine-2,7-dione
SMILESO=C1C=CC2=C(CCCC(=O)N2)C1
InChIInChI=1S/C10H11NO2/c12-8-4-5-9-7(6-8)2-1-3-10(13)11-9/h4-5H,1-3,6H2,(H,11,13)
InChIKeySUTAHILLLAEDFR-UHFFFAOYSA-N
XLogP1.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrahydro-1H-1-benzazepine-2,7-dione?
The IUPAC name of 3,4,5,6-tetrahydro-1H-1-benzazepine-2,7-dione (CID 68739175) is 3,4,5,6-tetrahydro-1H-1-benzazepine-2,7-dione.
What is the SMILES notation for 3,4,5,6-tetrahydro-1H-1-benzazepine-2,7-dione?
The canonical SMILES for 3,4,5,6-tetrahydro-1H-1-benzazepine-2,7-dione is O=C1C=CC2=C(CCCC(=O)N2)C1.
What is the InChIKey of 3,4,5,6-tetrahydro-1H-1-benzazepine-2,7-dione?
The InChIKey is SUTAHILLLAEDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-8-4-5-9-7(6-8)2-1-3-10(13)11-9/h4-5H,1-3,6H2,(H,11,13).
What are the key properties of 3,4,5,6-tetrahydro-1H-1-benzazepine-2,7-dione?
3,4,5,6-tetrahydro-1H-1-benzazepine-2,7-dione has a molecular weight of 177.20 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrahydro-1H-1-benzazepine-2,7-dione is sourced from PubChem (CID 68739175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).