1-(4-methyl-1H-1-benzazepin-5-yl)propan-1-one

C14H15NO — CID 24977556

IUPAC1-(4-methyl-1H-1-benzazepin-5-yl)propan-1-one
SMILESCCC(=O)C1=C(C)C=CNc2ccccc21
InChIInChI=1S/C14H15NO/c1-3-13(16)14-10(2)8-9-15-12-7-5-4-6-11(12)14/h4-9,15H,3H2,1-2H3
InChIKeyPPURGRYEJBIMOH-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.38
Rot. Bonds2

About 1-(4-methyl-1H-1-benzazepin-5-yl)propan-1-one

1-(4-methyl-1H-1-benzazepin-5-yl)propan-1-one (PubChem CID 24977556) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(4-methyl-1H-1-benzazepin-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-methyl-1H-1-benzazepin-5-yl)propan-1-one
PubChem CID24977556
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1-(4-methyl-1H-1-benzazepin-5-yl)propan-1-one
SMILESCCC(=O)C1=C(C)C=CNc2ccccc21
InChIInChI=1S/C14H15NO/c1-3-13(16)14-10(2)8-9-15-12-7-5-4-6-11(12)14/h4-9,15H,3H2,1-2H3
InChIKeyPPURGRYEJBIMOH-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1H-1-benzazepin-5-ol
CID 24767309
1-[2-(4-methylphenyl)phenyl]propan-1-one
CID 67873243
1-phenyl(111C)propan-1-one
CID 11159350
2-(2-propanoylphenyl)benzoic acid
CID 15194783
2,6-dihydroimidazo[4,5-d][1]benzazepine
CID 175809510
1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]propan-1-one
CID 23015537
1-phenylpropan-1-one;zirconium
CID 173295106
methane;1-phenylpropan-1-one
CID 67638055
ethyl 4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate
CID 5177010
(3E)-3-(1-chloropropylidene)-1H-indol-2-one
CID 15208855
1-[4-(2-hydroxyphenyl)phenyl]propan-1-one
CID 19877656
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1H-1-benzazepin-5-yl)propan-1-one?
The IUPAC name of 1-(4-methyl-1H-1-benzazepin-5-yl)propan-1-one (CID 24977556) is 1-(4-methyl-1H-1-benzazepin-5-yl)propan-1-one.
What is the SMILES notation for 1-(4-methyl-1H-1-benzazepin-5-yl)propan-1-one?
The canonical SMILES for 1-(4-methyl-1H-1-benzazepin-5-yl)propan-1-one is CCC(=O)C1=C(C)C=CNc2ccccc21.
What is the InChIKey of 1-(4-methyl-1H-1-benzazepin-5-yl)propan-1-one?
The InChIKey is PPURGRYEJBIMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-3-13(16)14-10(2)8-9-15-12-7-5-4-6-11(12)14/h4-9,15H,3H2,1-2H3.
What are the key properties of 1-(4-methyl-1H-1-benzazepin-5-yl)propan-1-one?
1-(4-methyl-1H-1-benzazepin-5-yl)propan-1-one has a molecular weight of 213.28 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1H-1-benzazepin-5-yl)propan-1-one is sourced from PubChem (CID 24977556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).