1-acetyl-3,4,5,6-tetrahydro-1-benzazonine-2,7-dione

C14H15NO3 — CID 15650143

IUPAC1-acetyl-3,4,5,6-tetrahydro-1-benzazonine-2,7-dione
SMILESCC(=O)N1C(=O)CCCCC(=O)c2ccccc21
InChIInChI=1S/C14H15NO3/c1-10(16)15-12-7-3-2-6-11(12)13(17)8-4-5-9-14(15)18/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyRDNPNFYBUMOIKJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.32
Rot. Bonds

About 1-acetyl-3,4,5,6-tetrahydro-1-benzazonine-2,7-dione

1-acetyl-3,4,5,6-tetrahydro-1-benzazonine-2,7-dione (PubChem CID 15650143) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-acetyl-3,4,5,6-tetrahydro-1-benzazonine-2,7-dione.

Molecular Properties

Compound Name1-acetyl-3,4,5,6-tetrahydro-1-benzazonine-2,7-dione
PubChem CID15650143
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-acetyl-3,4,5,6-tetrahydro-1-benzazonine-2,7-dione
SMILESCC(=O)N1C(=O)CCCCC(=O)c2ccccc21
InChIInChI=1S/C14H15NO3/c1-10(16)15-12-7-3-2-6-11(12)13(17)8-4-5-9-14(15)18/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyRDNPNFYBUMOIKJ-UHFFFAOYSA-N
XLogP2.32
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3,4,5,6-tetrahydro-1-benzazonine-2,7-dione?
The IUPAC name of 1-acetyl-3,4,5,6-tetrahydro-1-benzazonine-2,7-dione (CID 15650143) is 1-acetyl-3,4,5,6-tetrahydro-1-benzazonine-2,7-dione.
What is the SMILES notation for 1-acetyl-3,4,5,6-tetrahydro-1-benzazonine-2,7-dione?
The canonical SMILES for 1-acetyl-3,4,5,6-tetrahydro-1-benzazonine-2,7-dione is CC(=O)N1C(=O)CCCCC(=O)c2ccccc21.
What is the InChIKey of 1-acetyl-3,4,5,6-tetrahydro-1-benzazonine-2,7-dione?
The InChIKey is RDNPNFYBUMOIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10(16)15-12-7-3-2-6-11(12)13(17)8-4-5-9-14(15)18/h2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of 1-acetyl-3,4,5,6-tetrahydro-1-benzazonine-2,7-dione?
1-acetyl-3,4,5,6-tetrahydro-1-benzazonine-2,7-dione has a molecular weight of 245.28 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3,4,5,6-tetrahydro-1-benzazonine-2,7-dione is sourced from PubChem (CID 15650143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).