2-(2-aminoethyl)-4H-1,4-benzoxazin-3-one

C10H12N2O2 — CID 82111928

IUPAC2-(2-aminoethyl)-4H-1,4-benzoxazin-3-one
SMILESNCCC1Oc2ccccc2NC1=O
InChIInChI=1S/C10H12N2O2/c11-6-5-9-10(13)12-7-3-1-2-4-8(7)14-9/h1-4,9H,5-6,11H2,(H,12,13)
InChIKeyMABJAJDFJJYHFL-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.73
Rot. Bonds2

About 2-(2-aminoethyl)-4H-1,4-benzoxazin-3-one

2-(2-aminoethyl)-4H-1,4-benzoxazin-3-one (PubChem CID 82111928) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-4H-1,4-benzoxazin-3-one
PubChem CID82111928
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-(2-aminoethyl)-4H-1,4-benzoxazin-3-one
SMILESNCCC1Oc2ccccc2NC1=O
InChIInChI=1S/C10H12N2O2/c11-6-5-9-10(13)12-7-3-1-2-4-8(7)14-9/h1-4,9H,5-6,11H2,(H,12,13)
InChIKeyMABJAJDFJJYHFL-UHFFFAOYSA-N
XLogP0.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-(2-hydroxyethyl)-4H-1,4-benzoxazin-3-one
CID 90923836
2-(2-aminoethyl)-6-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82231668
2-(2-aminoethyl)-5-hydroxy-4H-1,4-benzoxazin-3-one
CID 141475665
2-(2-aminoethyl)-8-fluoro-4H-1,4-benzoxazin-3-one
CID 82230571
2-(2-aminoethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 116990341
2-(2-piperazin-1-ylethyl)-4H-1,4-benzoxazin-3-one
CID 116990893
2-amino-4H-1,4-benzoxazin-3-one
CID 10607101
1-(4-chlorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide
CID 110404755
2-ethyl-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]butanamide
CID 110404629
N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]furan-2-carboxamide
CID 110404630
2-(1-amino-2-methylpropan-2-yl)-4H-1,4-benzoxazin-3-one
CID 116990845
N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]pentanamide
CID 110404623

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2-(2-aminoethyl)-4H-1,4-benzoxazin-3-one (CID 82111928) is 2-(2-aminoethyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2-(2-aminoethyl)-4H-1,4-benzoxazin-3-one is NCCC1Oc2ccccc2NC1=O.
What is the InChIKey of 2-(2-aminoethyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is MABJAJDFJJYHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-6-5-9-10(13)12-7-3-1-2-4-8(7)14-9/h1-4,9H,5-6,11H2,(H,12,13).
What are the key properties of 2-(2-aminoethyl)-4H-1,4-benzoxazin-3-one?
2-(2-aminoethyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 192.22 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 82111928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).