2-(diethylaminomethyl)-1,3-benzoxazin-4-one

C13H16N2O2 — CID 14146192

IUPAC2-(diethylaminomethyl)-1,3-benzoxazin-4-one
SMILESCCN(CC)Cc1nc(=O)c2ccccc2o1
InChIInChI=1S/C13H16N2O2/c1-3-15(4-2)9-12-14-13(16)10-7-5-6-8-11(10)17-12/h5-8H,3-4,9H2,1-2H3
InChIKeyXEEWANXSYKNFSC-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.03
Rot. Bonds4

About 2-(diethylaminomethyl)-1,3-benzoxazin-4-one

2-(diethylaminomethyl)-1,3-benzoxazin-4-one (PubChem CID 14146192) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name2-(diethylaminomethyl)-1,3-benzoxazin-4-one
PubChem CID14146192
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(diethylaminomethyl)-1,3-benzoxazin-4-one
SMILESCCN(CC)Cc1nc(=O)c2ccccc2o1
InChIInChI=1S/C13H16N2O2/c1-3-15(4-2)9-12-14-13(16)10-7-5-6-8-11(10)17-12/h5-8H,3-4,9H2,1-2H3
InChIKeyXEEWANXSYKNFSC-UHFFFAOYSA-N
XLogP2.03
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-1,3-benzoxazin-4-one?
The IUPAC name of 2-(diethylaminomethyl)-1,3-benzoxazin-4-one (CID 14146192) is 2-(diethylaminomethyl)-1,3-benzoxazin-4-one.
What is the SMILES notation for 2-(diethylaminomethyl)-1,3-benzoxazin-4-one?
The canonical SMILES for 2-(diethylaminomethyl)-1,3-benzoxazin-4-one is CCN(CC)Cc1nc(=O)c2ccccc2o1.
What is the InChIKey of 2-(diethylaminomethyl)-1,3-benzoxazin-4-one?
The InChIKey is XEEWANXSYKNFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-15(4-2)9-12-14-13(16)10-7-5-6-8-11(10)17-12/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 2-(diethylaminomethyl)-1,3-benzoxazin-4-one?
2-(diethylaminomethyl)-1,3-benzoxazin-4-one has a molecular weight of 232.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-1,3-benzoxazin-4-one is sourced from PubChem (CID 14146192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).