1-methyl-3,4-dihydro-1-benzazepine-2,5-dione

C11H11NO2 — CID 123798600

IUPAC1-methyl-3,4-dihydro-1-benzazepine-2,5-dione
SMILESCN1C(=O)CCC(=O)c2ccccc21
InChIInChI=1S/C11H11NO2/c1-12-9-5-3-2-4-8(9)10(13)6-7-11(12)14/h2-5H,6-7H2,1H3
InChIKeyVUVOWLHLMZMHHK-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.63
Rot. Bonds

About 1-methyl-3,4-dihydro-1-benzazepine-2,5-dione

1-methyl-3,4-dihydro-1-benzazepine-2,5-dione (PubChem CID 123798600) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-methyl-3,4-dihydro-1-benzazepine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3,4-dihydro-1-benzazepine-2,5-dione
PubChem CID123798600
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-methyl-3,4-dihydro-1-benzazepine-2,5-dione
SMILESCN1C(=O)CCC(=O)c2ccccc21
InChIInChI=1S/C11H11NO2/c1-12-9-5-3-2-4-8(9)10(13)6-7-11(12)14/h2-5H,6-7H2,1H3
InChIKeyVUVOWLHLMZMHHK-UHFFFAOYSA-N
XLogP1.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4-dihydro-1-benzazepine-2,5-dione?
The IUPAC name of 1-methyl-3,4-dihydro-1-benzazepine-2,5-dione (CID 123798600) is 1-methyl-3,4-dihydro-1-benzazepine-2,5-dione.
What is the SMILES notation for 1-methyl-3,4-dihydro-1-benzazepine-2,5-dione?
The canonical SMILES for 1-methyl-3,4-dihydro-1-benzazepine-2,5-dione is CN1C(=O)CCC(=O)c2ccccc21.
What is the InChIKey of 1-methyl-3,4-dihydro-1-benzazepine-2,5-dione?
The InChIKey is VUVOWLHLMZMHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-12-9-5-3-2-4-8(9)10(13)6-7-11(12)14/h2-5H,6-7H2,1H3.
What are the key properties of 1-methyl-3,4-dihydro-1-benzazepine-2,5-dione?
1-methyl-3,4-dihydro-1-benzazepine-2,5-dione has a molecular weight of 189.21 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-dihydro-1-benzazepine-2,5-dione is sourced from PubChem (CID 123798600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).