3-amino-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one

C12H16N2O2 — CID 83632908

IUPAC3-amino-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
SMILESCc1ccc2c(c1)OCCN2C(=O)CCN
InChIInChI=1S/C12H16N2O2/c1-9-2-3-10-11(8-9)16-7-6-14(10)12(15)4-5-13/h2-3,8H,4-7,13H2,1H3
InChIKeyZHYQIIBTSZECPM-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.07
Rot. Bonds2

About 3-amino-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one

3-amino-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one (PubChem CID 83632908) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-amino-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
PubChem CID83632908
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-amino-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
SMILESCc1ccc2c(c1)OCCN2C(=O)CCN
InChIInChI=1S/C12H16N2O2/c1-9-2-3-10-11(8-9)16-7-6-14(10)12(15)4-5-13/h2-3,8H,4-7,13H2,1H3
InChIKeyZHYQIIBTSZECPM-UHFFFAOYSA-N
XLogP1.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one?
The IUPAC name of 3-amino-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one (CID 83632908) is 3-amino-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one is Cc1ccc2c(c1)OCCN2C(=O)CCN.
What is the InChIKey of 3-amino-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one?
The InChIKey is ZHYQIIBTSZECPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-2-3-10-11(8-9)16-7-6-14(10)12(15)4-5-13/h2-3,8H,4-7,13H2,1H3.
What are the key properties of 3-amino-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one?
3-amino-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one has a molecular weight of 220.27 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one is sourced from PubChem (CID 83632908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).