4-ethenyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one

C11H11NO3 — CID 154709488

IUPAC4-ethenyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one
SMILESC=CC1OC(=O)Nc2ccc(OC)cc21
InChIInChI=1S/C11H11NO3/c1-3-10-8-6-7(14-2)4-5-9(8)12-11(13)15-10/h3-6,10H,1H2,2H3,(H,12,13)
InChIKeyLQDYBJUGWXMCQI-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.48
Rot. Bonds2

About 4-ethenyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one

4-ethenyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one (PubChem CID 154709488) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 4-ethenyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name4-ethenyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one
PubChem CID154709488
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name4-ethenyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one
SMILESC=CC1OC(=O)Nc2ccc(OC)cc21
InChIInChI=1S/C11H11NO3/c1-3-10-8-6-7(14-2)4-5-9(8)12-11(13)15-10/h3-6,10H,1H2,2H3,(H,12,13)
InChIKeyLQDYBJUGWXMCQI-UHFFFAOYSA-N
XLogP2.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one
CID 13260479
4-ethyl-6-methoxy-3,4-dihydro-1H-quinazolin-2-one
CID 105458950
2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)propanoic acid
CID 79730196
4-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one
CID 130007478
3-butyl-5-methoxy-1,3-dihydroindol-2-one
CID 103846259
5-methoxy-3-(3-methylbutan-2-ylamino)-1,3-dihydroindol-2-one
CID 114990091
5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde
CID 89159810
2-acetyl-7-methoxy-4H-1,4-benzoxazin-3-one
CID 20701063
5-methoxy-3-(1,3,4-oxadiazol-2-ylmethyl)-1,3-dihydroindol-2-one
CID 143265224
8-methoxyspiro[2,5-dihydro-1,5-benzothiazepine-3,1'-cyclopropane]-4-one
CID 115099183
5-methoxy-3-(pentylamino)-1,3-dihydroindol-2-one
CID 114990088
(2S,4R)-4-ethenyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 102052144

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one?
The IUPAC name of 4-ethenyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one (CID 154709488) is 4-ethenyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one.
What is the SMILES notation for 4-ethenyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one?
The canonical SMILES for 4-ethenyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one is C=CC1OC(=O)Nc2ccc(OC)cc21.
What is the InChIKey of 4-ethenyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one?
The InChIKey is LQDYBJUGWXMCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-3-10-8-6-7(14-2)4-5-9(8)12-11(13)15-10/h3-6,10H,1H2,2H3,(H,12,13).
What are the key properties of 4-ethenyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one?
4-ethenyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one has a molecular weight of 205.21 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one is sourced from PubChem (CID 154709488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).