methane;1,3,4,5-tetrahydro-1-benzazepin-2-one

C11H15NO — CID 143703020

IUPACmethane;1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESC.O=C1CCCc2ccccc2N1
InChIInChI=1S/C10H11NO.CH4/c12-10-7-3-5-8-4-1-2-6-9(8)11-10;/h1-2,4,6H,3,5,7H2,(H,11,12);1H4
InChIKeyWZJPBDXOOVCHQL-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.60
Rot. Bonds

About methane;1,3,4,5-tetrahydro-1-benzazepin-2-one

methane;1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 143703020) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is methane;1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Namemethane;1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID143703020
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Namemethane;1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESC.O=C1CCCc2ccccc2N1
InChIInChI=1S/C10H11NO.CH4/c12-10-7-3-5-8-4-1-2-6-9(8)11-10;/h1-2,4,6H,3,5,7H2,(H,11,12);1H4
InChIKeyWZJPBDXOOVCHQL-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 91147283
1,3,4,5-tetrahydro-1-benzazepin-2-one;2,2,2-trifluoroacetic acid
CID 66714584
3,4-dihydro-1H-quinolin-2-one;ethane
CID 90913605
ethane;5,10,11,12-tetrahydrobenzo[b][1]benzazocine
CID 142101611
3,4-dihydro-1H-quinolin-2-one;methanesulfonic acid
CID 21248382
1,3-dihydroindol-2-one;trihydrochloride
CID 66960013
7-sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43165333
1,3-dihydroindol-2-one;ethane
CID 54350510
7-[chloro(phenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61086259
2,3-dihydro-1H-indene;methane
CID 158581717
5-methyl-1,3,4,6-tetrahydro-1,5-benzodiazocin-2-one
CID 89129772
2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-carbaldehyde
CID 23558916

Frequently Asked Questions

What is the IUPAC name of methane;1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of methane;1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 143703020) is methane;1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for methane;1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for methane;1,3,4,5-tetrahydro-1-benzazepin-2-one is C.O=C1CCCc2ccccc2N1.
What is the InChIKey of methane;1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is WZJPBDXOOVCHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.CH4/c12-10-7-3-5-8-4-1-2-6-9(8)11-10;/h1-2,4,6H,3,5,7H2,(H,11,12);1H4.
What are the key properties of methane;1,3,4,5-tetrahydro-1-benzazepin-2-one?
methane;1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 177.25 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 143703020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).