2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one

C14H18N2O — CID 23554994

IUPAC2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one
SMILESCNC1Cc2ccccc2CN(C2CC2)C1=O
InChIInChI=1S/C14H18N2O/c1-15-13-8-10-4-2-3-5-11(10)9-16(14(13)17)12-6-7-12/h2-5,12-13,15H,6-9H2,1H3
InChIKeyIKTJHYXRAINNMR-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.32
Rot. Bonds2

About 2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one

2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one (PubChem CID 23554994) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one
PubChem CID23554994
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one
SMILESCNC1Cc2ccccc2CN(C2CC2)C1=O
InChIInChI=1S/C14H18N2O/c1-15-13-8-10-4-2-3-5-11(10)9-16(14(13)17)12-6-7-12/h2-5,12-13,15H,6-9H2,1H3
InChIKeyIKTJHYXRAINNMR-UHFFFAOYSA-N
XLogP1.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one?
The IUPAC name of 2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one (CID 23554994) is 2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one.
What is the SMILES notation for 2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one?
The canonical SMILES for 2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one is CNC1Cc2ccccc2CN(C2CC2)C1=O.
What is the InChIKey of 2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one?
The InChIKey is IKTJHYXRAINNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-15-13-8-10-4-2-3-5-11(10)9-16(14(13)17)12-6-7-12/h2-5,12-13,15H,6-9H2,1H3.
What are the key properties of 2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one?
2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one has a molecular weight of 230.31 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one is sourced from PubChem (CID 23554994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).