2-(ethylamino)-3,4-dihydro-2H-1-benzoxepin-5-one

C12H15NO2 — CID 70565657

IUPAC2-(ethylamino)-3,4-dihydro-2H-1-benzoxepin-5-one
SMILESCCNC1CCC(=O)c2ccccc2O1
InChIInChI=1S/C12H15NO2/c1-2-13-12-8-7-10(14)9-5-3-4-6-11(9)15-12/h3-6,12-13H,2,7-8H2,1H3
InChIKeyRYYZPMJFHRHTOE-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.98
Rot. Bonds2

About 2-(ethylamino)-3,4-dihydro-2H-1-benzoxepin-5-one

2-(ethylamino)-3,4-dihydro-2H-1-benzoxepin-5-one (PubChem CID 70565657) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(ethylamino)-3,4-dihydro-2H-1-benzoxepin-5-one.

Molecular Properties

Compound Name2-(ethylamino)-3,4-dihydro-2H-1-benzoxepin-5-one
PubChem CID70565657
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(ethylamino)-3,4-dihydro-2H-1-benzoxepin-5-one
SMILESCCNC1CCC(=O)c2ccccc2O1
InChIInChI=1S/C12H15NO2/c1-2-13-12-8-7-10(14)9-5-3-4-6-11(9)15-12/h3-6,12-13H,2,7-8H2,1H3
InChIKeyRYYZPMJFHRHTOE-UHFFFAOYSA-N
XLogP1.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-3,4-dihydro-2H-1-benzoxepin-5-one
CID 15851366
ethane;2-methyl-2,3-dihydrochromen-4-one
CID 142100013
2-(3-methylpentan-3-yl)-2,3-dihydrochromen-4-one
CID 86188407
N-ethyl-1,3-benzodioxol-2-amine
CID 91350039
2-cyclopropyl-2,3-dihydrochromen-4-one
CID 114671469
2-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-10-one
CID 72551303
ethane;2-phenyl-2,3-dihydrochromen-4-one
CID 91018475
2-(2-hydroxybutyl)-2,3-dihydrochromen-4-one
CID 23513119
(2S)-3-ethyl-2-methyl-2H-1,3-benzoxazin-4-one
CID 125490718
2-[(E)-but-2-enyl]-2,3-dihydrochromen-4-one
CID 19036544
2-(1-hydroxypropan-2-yl)-2,3-dihydrochromen-4-one
CID 138982918
2-ethyl-7-methyl-3,4-dihydro-2H-1-benzoxepin-5-one
CID 54350762

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3,4-dihydro-2H-1-benzoxepin-5-one?
The IUPAC name of 2-(ethylamino)-3,4-dihydro-2H-1-benzoxepin-5-one (CID 70565657) is 2-(ethylamino)-3,4-dihydro-2H-1-benzoxepin-5-one.
What is the SMILES notation for 2-(ethylamino)-3,4-dihydro-2H-1-benzoxepin-5-one?
The canonical SMILES for 2-(ethylamino)-3,4-dihydro-2H-1-benzoxepin-5-one is CCNC1CCC(=O)c2ccccc2O1.
What is the InChIKey of 2-(ethylamino)-3,4-dihydro-2H-1-benzoxepin-5-one?
The InChIKey is RYYZPMJFHRHTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-13-12-8-7-10(14)9-5-3-4-6-11(9)15-12/h3-6,12-13H,2,7-8H2,1H3.
What are the key properties of 2-(ethylamino)-3,4-dihydro-2H-1-benzoxepin-5-one?
2-(ethylamino)-3,4-dihydro-2H-1-benzoxepin-5-one has a molecular weight of 205.26 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3,4-dihydro-2H-1-benzoxepin-5-one is sourced from PubChem (CID 70565657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).