6-amino-4-methyl-1,4-oxazepan-5-one

C6H12N2O2 — CID 66654892

IUPAC6-amino-4-methyl-1,4-oxazepan-5-one
SMILESCN1CCOCC(N)C1=O
InChIInChI=1S/C6H12N2O2/c1-8-2-3-10-4-5(7)6(8)9/h5H,2-4,7H2,1H3
InChIKeyPZOYQMSHDHJLTB-UHFFFAOYSA-N
MW144.17 g/mol
LogP-1.20
Rot. Bonds

About 6-amino-4-methyl-1,4-oxazepan-5-one

6-amino-4-methyl-1,4-oxazepan-5-one (PubChem CID 66654892) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 6-amino-4-methyl-1,4-oxazepan-5-one.

Molecular Properties

Compound Name6-amino-4-methyl-1,4-oxazepan-5-one
PubChem CID66654892
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name6-amino-4-methyl-1,4-oxazepan-5-one
SMILESCN1CCOCC(N)C1=O
InChIInChI=1S/C6H12N2O2/c1-8-2-3-10-4-5(7)6(8)9/h5H,2-4,7H2,1H3
InChIKeyPZOYQMSHDHJLTB-UHFFFAOYSA-N
XLogP-1.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-1,4-oxazepan-5-one?
The IUPAC name of 6-amino-4-methyl-1,4-oxazepan-5-one (CID 66654892) is 6-amino-4-methyl-1,4-oxazepan-5-one.
What is the SMILES notation for 6-amino-4-methyl-1,4-oxazepan-5-one?
The canonical SMILES for 6-amino-4-methyl-1,4-oxazepan-5-one is CN1CCOCC(N)C1=O.
What is the InChIKey of 6-amino-4-methyl-1,4-oxazepan-5-one?
The InChIKey is PZOYQMSHDHJLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-8-2-3-10-4-5(7)6(8)9/h5H,2-4,7H2,1H3.
What are the key properties of 6-amino-4-methyl-1,4-oxazepan-5-one?
6-amino-4-methyl-1,4-oxazepan-5-one has a molecular weight of 144.17 g/mol, XLogP of -1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-1,4-oxazepan-5-one is sourced from PubChem (CID 66654892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).