6-[1-(aminomethyl)cyclopropyl]-2,2,4-trimethyl-1,4-benzoxazin-3-one

C15H20N2O2 — CID 117405165

IUPAC6-[1-(aminomethyl)cyclopropyl]-2,2,4-trimethyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)C(C)(C)Oc2ccc(C3(CN)CC3)cc21
InChIInChI=1S/C15H20N2O2/c1-14(2)13(18)17(3)11-8-10(4-5-12(11)19-14)15(9-16)6-7-15/h4-5,8H,6-7,9,16H2,1-3H3
InChIKeyFYRIESAFLHYGLU-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.81
Rot. Bonds2

About 6-[1-(aminomethyl)cyclopropyl]-2,2,4-trimethyl-1,4-benzoxazin-3-one

6-[1-(aminomethyl)cyclopropyl]-2,2,4-trimethyl-1,4-benzoxazin-3-one (PubChem CID 117405165) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-[1-(aminomethyl)cyclopropyl]-2,2,4-trimethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[1-(aminomethyl)cyclopropyl]-2,2,4-trimethyl-1,4-benzoxazin-3-one
PubChem CID117405165
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name6-[1-(aminomethyl)cyclopropyl]-2,2,4-trimethyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)C(C)(C)Oc2ccc(C3(CN)CC3)cc21
InChIInChI=1S/C15H20N2O2/c1-14(2)13(18)17(3)11-8-10(4-5-12(11)19-14)15(9-16)6-7-15/h4-5,8H,6-7,9,16H2,1-3H3
InChIKeyFYRIESAFLHYGLU-UHFFFAOYSA-N
XLogP1.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(aminomethyl)cyclopropyl]-2,2,4-trimethyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-[1-(aminomethyl)cyclopropyl]-2,2,4-trimethyl-1,4-benzoxazin-3-one (CID 117405165) is 6-[1-(aminomethyl)cyclopropyl]-2,2,4-trimethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[1-(aminomethyl)cyclopropyl]-2,2,4-trimethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[1-(aminomethyl)cyclopropyl]-2,2,4-trimethyl-1,4-benzoxazin-3-one is CN1C(=O)C(C)(C)Oc2ccc(C3(CN)CC3)cc21.
What is the InChIKey of 6-[1-(aminomethyl)cyclopropyl]-2,2,4-trimethyl-1,4-benzoxazin-3-one?
The InChIKey is FYRIESAFLHYGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-14(2)13(18)17(3)11-8-10(4-5-12(11)19-14)15(9-16)6-7-15/h4-5,8H,6-7,9,16H2,1-3H3.
What are the key properties of 6-[1-(aminomethyl)cyclopropyl]-2,2,4-trimethyl-1,4-benzoxazin-3-one?
6-[1-(aminomethyl)cyclopropyl]-2,2,4-trimethyl-1,4-benzoxazin-3-one has a molecular weight of 260.34 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(aminomethyl)cyclopropyl]-2,2,4-trimethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 117405165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).