ethane;1,3,4-trimethyl-4,5-dihydro-3H-1-benzazepin-2-one

C15H23NO — CID 123732001

IUPACethane;1,3,4-trimethyl-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCC.CC1Cc2ccccc2N(C)C(=O)C1C
InChIInChI=1S/C13H17NO.C2H6/c1-9-8-11-6-4-5-7-12(11)14(3)13(15)10(9)2;1-2/h4-7,9-10H,8H2,1-3H3;1-2H3
InChIKeySRHDLAJDESZLGY-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.50
Rot. Bonds

About ethane;1,3,4-trimethyl-4,5-dihydro-3H-1-benzazepin-2-one

ethane;1,3,4-trimethyl-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 123732001) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is ethane;1,3,4-trimethyl-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Nameethane;1,3,4-trimethyl-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID123732001
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Nameethane;1,3,4-trimethyl-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCC.CC1Cc2ccccc2N(C)C(=O)C1C
InChIInChI=1S/C13H17NO.C2H6/c1-9-8-11-6-4-5-7-12(11)14(3)13(15)10(9)2;1-2/h4-7,9-10H,8H2,1-3H3;1-2H3
InChIKeySRHDLAJDESZLGY-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-amino-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride
CID 69196199
3-(aminomethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 54772600
1,3-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 59848827
3-cyclopropyloxy-1-methyl-3,4-dihydroquinolin-2-one
CID 141043547
tert-butyl N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]carbamate
CID 22868946
1-methyl-2,3-dihydroindol-2-ol
CID 70661566
4,4-difluoro-3-iodo-1-methyl-3,5-dihydro-1-benzazepin-2-one
CID 130314014
4,6-dimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]quinoline-2,5-dione
CID 3677244
(1S,2S)-1,2-dimethyl-2,3-dihydro-1H-indene;ethane;methane
CID 157409915
2-methyl-3a,4,9,9a-tetrahydrobenzo[f]isoindole-1,3-dione
CID 85416219
ethane;1-methyl-4H-3,1-benzothiazin-2-one
CID 90782126
1,3-dimethyl-4-phenyl-3,4-dihydroquinolin-2-one
CID 20689381

Frequently Asked Questions

What is the IUPAC name of ethane;1,3,4-trimethyl-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of ethane;1,3,4-trimethyl-4,5-dihydro-3H-1-benzazepin-2-one (CID 123732001) is ethane;1,3,4-trimethyl-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for ethane;1,3,4-trimethyl-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for ethane;1,3,4-trimethyl-4,5-dihydro-3H-1-benzazepin-2-one is CC.CC1Cc2ccccc2N(C)C(=O)C1C.
What is the InChIKey of ethane;1,3,4-trimethyl-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is SRHDLAJDESZLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C2H6/c1-9-8-11-6-4-5-7-12(11)14(3)13(15)10(9)2;1-2/h4-7,9-10H,8H2,1-3H3;1-2H3.
What are the key properties of ethane;1,3,4-trimethyl-4,5-dihydro-3H-1-benzazepin-2-one?
ethane;1,3,4-trimethyl-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 233.36 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,4-trimethyl-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 123732001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).