2-amino-7-propan-2-yl-3,1-benzoxazin-4-one

C11H12N2O2 — CID 504591

IUPAC2-amino-7-propan-2-yl-3,1-benzoxazin-4-one
SMILESCC(C)c1ccc2c(=O)oc(N)nc2c1
InChIInChI=1S/C11H12N2O2/c1-6(2)7-3-4-8-9(5-7)13-11(12)15-10(8)14/h3-6H,1-2H3,(H2,12,13)
InChIKeyLUHHZIOKBMSKQG-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.89
Rot. Bonds1

About 2-amino-7-propan-2-yl-3,1-benzoxazin-4-one

2-amino-7-propan-2-yl-3,1-benzoxazin-4-one (PubChem CID 504591) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-amino-7-propan-2-yl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-amino-7-propan-2-yl-3,1-benzoxazin-4-one
PubChem CID504591
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-amino-7-propan-2-yl-3,1-benzoxazin-4-one
SMILESCC(C)c1ccc2c(=O)oc(N)nc2c1
InChIInChI=1S/C11H12N2O2/c1-6(2)7-3-4-8-9(5-7)13-11(12)15-10(8)14/h3-6H,1-2H3,(H2,12,13)
InChIKeyLUHHZIOKBMSKQG-UHFFFAOYSA-N
XLogP1.89
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-amino-4-oxo-3,1-benzoxazin-7-yl)propanoate
CID 504596
6-propan-2-yl-2H-isoquinolin-1-one
CID 59592914
2,8-di(propan-2-yl)phenazine
CID 70800003
2-ethyl-3,7-di(propan-2-yl)quinazolin-4-one
CID 176746594
6-propan-2-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
CID 164969621
7-propan-2-yl-2H-isoquinolin-1-one
CID 59592854
2-butyl-7-propan-2-yl-3H-imidazo[4,5-c]quinolin-4-amine
CID 158069633
2-[2,4-di(propan-2-yl)phenyl]-6-ethoxy-7-methoxy-3,1-benzoxazin-4-one
CID 25400595
3-methyl-6-propan-2-ylchromen-2-one
CID 54590794
3,5-di(propan-2-yl)-2H-indazole
CID 58499067
5-(2-methoxy-4-propan-2-ylphenyl)-4-methyl-1,3-oxazol-2-amine
CID 116831725
2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid
CID 54097828

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-propan-2-yl-3,1-benzoxazin-4-one?
The IUPAC name of 2-amino-7-propan-2-yl-3,1-benzoxazin-4-one (CID 504591) is 2-amino-7-propan-2-yl-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-amino-7-propan-2-yl-3,1-benzoxazin-4-one?
The canonical SMILES for 2-amino-7-propan-2-yl-3,1-benzoxazin-4-one is CC(C)c1ccc2c(=O)oc(N)nc2c1.
What is the InChIKey of 2-amino-7-propan-2-yl-3,1-benzoxazin-4-one?
The InChIKey is LUHHZIOKBMSKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-6(2)7-3-4-8-9(5-7)13-11(12)15-10(8)14/h3-6H,1-2H3,(H2,12,13).
What are the key properties of 2-amino-7-propan-2-yl-3,1-benzoxazin-4-one?
2-amino-7-propan-2-yl-3,1-benzoxazin-4-one has a molecular weight of 204.23 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-propan-2-yl-3,1-benzoxazin-4-one is sourced from PubChem (CID 504591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).