7-(aminomethyl)-3,9-dihydro-2H-[1,4]dioxino[2,3-g][1,4]benzoxazin-8-one

C11H12N2O4 — CID 82231728

IUPAC7-(aminomethyl)-3,9-dihydro-2H-[1,4]dioxino[2,3-g][1,4]benzoxazin-8-one
SMILESNCC1Oc2cc3c(cc2NC1=O)OCCO3
InChIInChI=1S/C11H12N2O4/c12-5-10-11(14)13-6-3-8-9(4-7(6)17-10)16-2-1-15-8/h3-4,10H,1-2,5,12H2,(H,13,14)
InChIKeyXMPGWCNHYCTEIO-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.12
Rot. Bonds1

About 7-(aminomethyl)-3,9-dihydro-2H-[1,4]dioxino[2,3-g][1,4]benzoxazin-8-one

7-(aminomethyl)-3,9-dihydro-2H-[1,4]dioxino[2,3-g][1,4]benzoxazin-8-one (PubChem CID 82231728) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 7-(aminomethyl)-3,9-dihydro-2H-[1,4]dioxino[2,3-g][1,4]benzoxazin-8-one.

Molecular Properties

Compound Name7-(aminomethyl)-3,9-dihydro-2H-[1,4]dioxino[2,3-g][1,4]benzoxazin-8-one
PubChem CID82231728
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name7-(aminomethyl)-3,9-dihydro-2H-[1,4]dioxino[2,3-g][1,4]benzoxazin-8-one
SMILESNCC1Oc2cc3c(cc2NC1=O)OCCO3
InChIInChI=1S/C11H12N2O4/c12-5-10-11(14)13-6-3-8-9(4-7(6)17-10)16-2-1-15-8/h3-4,10H,1-2,5,12H2,(H,13,14)
InChIKeyXMPGWCNHYCTEIO-UHFFFAOYSA-N
XLogP0.12
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(aminomethyl)-3,9-dihydro-2H-[1,4]dioxino[2,3-g][1,4]benzoxazin-8-one with MolForge

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Related Compounds

8-(ethylamino)-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one
CID 114993838
8-propan-2-yl-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one
CID 82184552
2-(aminomethyl)-7-bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 116990587
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881714
2-(2-aminoethyl)-4H-1,4-benzoxazin-3-one
CID 82111928
7-amino-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one
CID 82491055
2-ethyl-7-(trifluoromethyl)-4H-1,4-benzoxazin-3-one
CID 118325292
2-(2-aminoethyl)-6-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82231668
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 39948835
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 39948836
6-(3-aminopropyl)-2-ethyl-4H-1,4-benzoxazin-3-one
CID 82339508
(4S)-4-(4-aminobutyl)-12-oxa-2,5-diazabicyclo[11.4.0]heptadeca-1(17),13,15-triene-3,6-dione
CID 58756788

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-3,9-dihydro-2H-[1,4]dioxino[2,3-g][1,4]benzoxazin-8-one?
The IUPAC name of 7-(aminomethyl)-3,9-dihydro-2H-[1,4]dioxino[2,3-g][1,4]benzoxazin-8-one (CID 82231728) is 7-(aminomethyl)-3,9-dihydro-2H-[1,4]dioxino[2,3-g][1,4]benzoxazin-8-one.
What is the SMILES notation for 7-(aminomethyl)-3,9-dihydro-2H-[1,4]dioxino[2,3-g][1,4]benzoxazin-8-one?
The canonical SMILES for 7-(aminomethyl)-3,9-dihydro-2H-[1,4]dioxino[2,3-g][1,4]benzoxazin-8-one is NCC1Oc2cc3c(cc2NC1=O)OCCO3.
What is the InChIKey of 7-(aminomethyl)-3,9-dihydro-2H-[1,4]dioxino[2,3-g][1,4]benzoxazin-8-one?
The InChIKey is XMPGWCNHYCTEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c12-5-10-11(14)13-6-3-8-9(4-7(6)17-10)16-2-1-15-8/h3-4,10H,1-2,5,12H2,(H,13,14).
What are the key properties of 7-(aminomethyl)-3,9-dihydro-2H-[1,4]dioxino[2,3-g][1,4]benzoxazin-8-one?
7-(aminomethyl)-3,9-dihydro-2H-[1,4]dioxino[2,3-g][1,4]benzoxazin-8-one has a molecular weight of 236.23 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-3,9-dihydro-2H-[1,4]dioxino[2,3-g][1,4]benzoxazin-8-one is sourced from PubChem (CID 82231728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).