5-(methoxymethyl)-1H-3,1-benzoxazine-2,4-dione

C10H9NO4 — CID 170859868

IUPAC5-(methoxymethyl)-1H-3,1-benzoxazine-2,4-dione
SMILESCOCc1cccc2[nH]c(=O)oc(=O)c12
InChIInChI=1S/C10H9NO4/c1-14-5-6-3-2-4-7-8(6)9(12)15-10(13)11-7/h2-4H,5H2,1H3,(H,11,13)
InChIKeySCFIBTRZBLNAQH-UHFFFAOYSA-N
MW207.18 g/mol
LogP0.63
Rot. Bonds2

About 5-(methoxymethyl)-1H-3,1-benzoxazine-2,4-dione

5-(methoxymethyl)-1H-3,1-benzoxazine-2,4-dione (PubChem CID 170859868) has the molecular formula C10H9NO4 and a molecular weight of 207.18 g/mol. Its IUPAC name is 5-(methoxymethyl)-1H-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name5-(methoxymethyl)-1H-3,1-benzoxazine-2,4-dione
PubChem CID170859868
Molecular FormulaC10H9NO4
Molecular Weight207.18 g/mol
Exact Mass207.05
IUPAC Name5-(methoxymethyl)-1H-3,1-benzoxazine-2,4-dione
SMILESCOCc1cccc2[nH]c(=O)oc(=O)c12
InChIInChI=1S/C10H9NO4/c1-14-5-6-3-2-4-7-8(6)9(12)15-10(13)11-7/h2-4H,5H2,1H3,(H,11,13)
InChIKeySCFIBTRZBLNAQH-UHFFFAOYSA-N
XLogP0.63
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(2,4-dioxo-1H-3,1-benzoxazin-5-yl)prop-2-enyl]carbamate
CID 169468312
ethyl 4-(2,4-dioxo-1H-3,1-benzoxazin-5-yl)but-3-enoate
CID 170796942
5-(1,2-dihydroxy-3-sulfanylpropyl)-1H-3,1-benzoxazine-2,4-dione
CID 170820717
4-(2,4-dioxo-1H-3,1-benzoxazin-5-yl)but-3-enenitrile
CID 170800496
5-[1,2-dihydroxy-4-(methylamino)butyl]-1H-3,1-benzoxazine-2,4-dione
CID 171891058
tris(2,6-bis(methoxymethyl)benzenethiol);trihydrofluoride
CID 173023834
5-(2-methoxyethyl)-1H-quinazoline-2,4-dione
CID 140789794
1H-3,1-benzoxazine-2,4-dione;hydrochloride
CID 142025242
tert-butyl N-[4-(2,4-dioxo-1H-3,1-benzoxazin-5-yl)but-3-enyl]carbamate
CID 170491275
7-methyl-3H-1,3-benzoxazol-2-one;propane
CID 142969733
4-(methoxymethyl)-3-methyl-1-benzofuran-2-carboxylic acid
CID 68711320
7-(3-aminopropyl)-3H-1,3-benzoxazol-2-one
CID 83878035

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1H-3,1-benzoxazine-2,4-dione?
The IUPAC name of 5-(methoxymethyl)-1H-3,1-benzoxazine-2,4-dione (CID 170859868) is 5-(methoxymethyl)-1H-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 5-(methoxymethyl)-1H-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 5-(methoxymethyl)-1H-3,1-benzoxazine-2,4-dione is COCc1cccc2[nH]c(=O)oc(=O)c12.
What is the InChIKey of 5-(methoxymethyl)-1H-3,1-benzoxazine-2,4-dione?
The InChIKey is SCFIBTRZBLNAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-14-5-6-3-2-4-7-8(6)9(12)15-10(13)11-7/h2-4H,5H2,1H3,(H,11,13).
What are the key properties of 5-(methoxymethyl)-1H-3,1-benzoxazine-2,4-dione?
5-(methoxymethyl)-1H-3,1-benzoxazine-2,4-dione has a molecular weight of 207.18 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1H-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 170859868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).