6-(methylamino)-4-(2-oxopropyl)-1,4-oxazepan-5-one

C9H16N2O3 — CID 22985007

IUPAC6-(methylamino)-4-(2-oxopropyl)-1,4-oxazepan-5-one
SMILESCNC1COCCN(CC(C)=O)C1=O
InChIInChI=1S/C9H16N2O3/c1-7(12)5-11-3-4-14-6-8(10-2)9(11)13/h8,10H,3-6H2,1-2H3
InChIKeyASWWMNLOSBDDQC-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.98
Rot. Bonds3

About 6-(methylamino)-4-(2-oxopropyl)-1,4-oxazepan-5-one

6-(methylamino)-4-(2-oxopropyl)-1,4-oxazepan-5-one (PubChem CID 22985007) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 6-(methylamino)-4-(2-oxopropyl)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name6-(methylamino)-4-(2-oxopropyl)-1,4-oxazepan-5-one
PubChem CID22985007
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name6-(methylamino)-4-(2-oxopropyl)-1,4-oxazepan-5-one
SMILESCNC1COCCN(CC(C)=O)C1=O
InChIInChI=1S/C9H16N2O3/c1-7(12)5-11-3-4-14-6-8(10-2)9(11)13/h8,10H,3-6H2,1-2H3
InChIKeyASWWMNLOSBDDQC-UHFFFAOYSA-N
XLogP-0.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(methylamino)-4-(2-oxopropyl)-1,4-oxazepan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-4-(2-oxopropyl)-1,4-oxazepan-5-one?
The IUPAC name of 6-(methylamino)-4-(2-oxopropyl)-1,4-oxazepan-5-one (CID 22985007) is 6-(methylamino)-4-(2-oxopropyl)-1,4-oxazepan-5-one.
What is the SMILES notation for 6-(methylamino)-4-(2-oxopropyl)-1,4-oxazepan-5-one?
The canonical SMILES for 6-(methylamino)-4-(2-oxopropyl)-1,4-oxazepan-5-one is CNC1COCCN(CC(C)=O)C1=O.
What is the InChIKey of 6-(methylamino)-4-(2-oxopropyl)-1,4-oxazepan-5-one?
The InChIKey is ASWWMNLOSBDDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-7(12)5-11-3-4-14-6-8(10-2)9(11)13/h8,10H,3-6H2,1-2H3.
What are the key properties of 6-(methylamino)-4-(2-oxopropyl)-1,4-oxazepan-5-one?
6-(methylamino)-4-(2-oxopropyl)-1,4-oxazepan-5-one has a molecular weight of 200.24 g/mol, XLogP of -0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-4-(2-oxopropyl)-1,4-oxazepan-5-one is sourced from PubChem (CID 22985007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).