N-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)formamide

C12H14N2O2 — CID 143233033

IUPACN-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)formamide
SMILESCN1Cc2ccccc2CC(NC=O)C1=O
InChIInChI=1S/C12H14N2O2/c1-14-7-10-5-3-2-4-9(10)6-11(12(14)16)13-8-15/h2-5,8,11H,6-7H2,1H3,(H,13,15)
InChIKeyDBCQACOGORHGFZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.32
Rot. Bonds2

About N-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)formamide

N-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)formamide (PubChem CID 143233033) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)formamide.

Molecular Properties

Compound NameN-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)formamide
PubChem CID143233033
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)formamide
SMILESCN1Cc2ccccc2CC(NC=O)C1=O
InChIInChI=1S/C12H14N2O2/c1-14-7-10-5-3-2-4-9(10)6-11(12(14)16)13-8-15/h2-5,8,11H,6-7H2,1H3,(H,13,15)
InChIKeyDBCQACOGORHGFZ-UHFFFAOYSA-N
XLogP0.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)formamide?
The IUPAC name of N-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)formamide (CID 143233033) is N-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)formamide.
What is the SMILES notation for N-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)formamide?
The canonical SMILES for N-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)formamide is CN1Cc2ccccc2CC(NC=O)C1=O.
What is the InChIKey of N-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)formamide?
The InChIKey is DBCQACOGORHGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-14-7-10-5-3-2-4-9(10)6-11(12(14)16)13-8-15/h2-5,8,11H,6-7H2,1H3,(H,13,15).
What are the key properties of N-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)formamide?
N-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)formamide has a molecular weight of 218.26 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)formamide is sourced from PubChem (CID 143233033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).