3-(methylamino)benzo[d][2]benzoxepine-5,7-dione

C15H11NO3 — CID 141358200

IUPAC3-(methylamino)benzo[d][2]benzoxepine-5,7-dione
SMILESCNc1ccc2c(c1)c(=O)oc(=O)c1ccccc12
InChIInChI=1S/C15H11NO3/c1-16-9-6-7-11-10-4-2-3-5-12(10)14(17)19-15(18)13(11)8-9/h2-8,16H,1H3
InChIKeyLGFWFDQZGAYONG-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.35
Rot. Bonds1

About 3-(methylamino)benzo[d][2]benzoxepine-5,7-dione

3-(methylamino)benzo[d][2]benzoxepine-5,7-dione (PubChem CID 141358200) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-(methylamino)benzo[d][2]benzoxepine-5,7-dione.

Molecular Properties

Compound Name3-(methylamino)benzo[d][2]benzoxepine-5,7-dione
PubChem CID141358200
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name3-(methylamino)benzo[d][2]benzoxepine-5,7-dione
SMILESCNc1ccc2c(c1)c(=O)oc(=O)c1ccccc12
InChIInChI=1S/C15H11NO3/c1-16-9-6-7-11-10-4-2-3-5-12(10)14(17)19-15(18)13(11)8-9/h2-8,16H,1H3
InChIKeyLGFWFDQZGAYONG-UHFFFAOYSA-N
XLogP2.35
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzo[d][2]benzoxepine-5,7-dione;ethane
CID 90954476
3,6-bis(methylamino)xanthen-9-one
CID 54135100
3-(2-methylanilino)benzo[c]chromen-6-one
CID 134233643
5-(methylamino)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 123689465
3-ethylsulfanylbenzo[d][2]benzoxepine-5,7-dione
CID 141358173
5,7-dioxobenzo[d][2]benzoxepine-3-carbonitrile
CID 141358162
3-(methylamino)isochromen-1-one
CID 139097561
4-hydroxy-7-(methylamino)chromen-2-one
CID 54690209
naphtho[2,3-c]isochromen-5-one
CID 11379597
N-methyl-N-(6-oxobenzo[c]chromen-3-yl)acetamide
CID 164598411
5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione
CID 71358715
N-methyldibenzothiophen-2-amine
CID 138617905

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)benzo[d][2]benzoxepine-5,7-dione?
The IUPAC name of 3-(methylamino)benzo[d][2]benzoxepine-5,7-dione (CID 141358200) is 3-(methylamino)benzo[d][2]benzoxepine-5,7-dione.
What is the SMILES notation for 3-(methylamino)benzo[d][2]benzoxepine-5,7-dione?
The canonical SMILES for 3-(methylamino)benzo[d][2]benzoxepine-5,7-dione is CNc1ccc2c(c1)c(=O)oc(=O)c1ccccc12.
What is the InChIKey of 3-(methylamino)benzo[d][2]benzoxepine-5,7-dione?
The InChIKey is LGFWFDQZGAYONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-16-9-6-7-11-10-4-2-3-5-12(10)14(17)19-15(18)13(11)8-9/h2-8,16H,1H3.
What are the key properties of 3-(methylamino)benzo[d][2]benzoxepine-5,7-dione?
3-(methylamino)benzo[d][2]benzoxepine-5,7-dione has a molecular weight of 253.26 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)benzo[d][2]benzoxepine-5,7-dione is sourced from PubChem (CID 141358200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).