6-[(cyclobutylamino)methyl]-2-methyl-4H-1,4-benzoxazin-3-one

C14H18N2O2 — CID 82498131

IUPAC6-[(cyclobutylamino)methyl]-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(CNC3CCC3)cc2NC1=O
InChIInChI=1S/C14H18N2O2/c1-9-14(17)16-12-7-10(5-6-13(12)18-9)8-15-11-3-2-4-11/h5-7,9,11,15H,2-4,8H2,1H3,(H,16,17)
InChIKeyYBSAGBWIWFTAPF-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.05
Rot. Bonds3

About 6-[(cyclobutylamino)methyl]-2-methyl-4H-1,4-benzoxazin-3-one

6-[(cyclobutylamino)methyl]-2-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 82498131) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-[(cyclobutylamino)methyl]-2-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[(cyclobutylamino)methyl]-2-methyl-4H-1,4-benzoxazin-3-one
PubChem CID82498131
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name6-[(cyclobutylamino)methyl]-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(CNC3CCC3)cc2NC1=O
InChIInChI=1S/C14H18N2O2/c1-9-14(17)16-12-7-10(5-6-13(12)18-9)8-15-11-3-2-4-11/h5-7,9,11,15H,2-4,8H2,1H3,(H,16,17)
InChIKeyYBSAGBWIWFTAPF-UHFFFAOYSA-N
XLogP2.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(cyclobutylamino)methyl]-2-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[(cyclobutylamino)methyl]-2-methyl-4H-1,4-benzoxazin-3-one (CID 82498131) is 6-[(cyclobutylamino)methyl]-2-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[(cyclobutylamino)methyl]-2-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[(cyclobutylamino)methyl]-2-methyl-4H-1,4-benzoxazin-3-one is CC1Oc2ccc(CNC3CCC3)cc2NC1=O.
What is the InChIKey of 6-[(cyclobutylamino)methyl]-2-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is YBSAGBWIWFTAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-14(17)16-12-7-10(5-6-13(12)18-9)8-15-11-3-2-4-11/h5-7,9,11,15H,2-4,8H2,1H3,(H,16,17).
What are the key properties of 6-[(cyclobutylamino)methyl]-2-methyl-4H-1,4-benzoxazin-3-one?
6-[(cyclobutylamino)methyl]-2-methyl-4H-1,4-benzoxazin-3-one has a molecular weight of 246.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(cyclobutylamino)methyl]-2-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 82498131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).