4-cyclopent-3-en-1-yl-6-(methylamino)-1,4-oxazepan-5-one

C11H18N2O2 — CID 22984975

IUPAC4-cyclopent-3-en-1-yl-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(C2CC=CC2)C1=O
InChIInChI=1S/C11H18N2O2/c1-12-10-8-15-7-6-13(11(10)14)9-4-2-3-5-9/h2-3,9-10,12H,4-8H2,1H3
InChIKeyRDNXVUQIASCSSF-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.15
Rot. Bonds2

About 4-cyclopent-3-en-1-yl-6-(methylamino)-1,4-oxazepan-5-one

4-cyclopent-3-en-1-yl-6-(methylamino)-1,4-oxazepan-5-one (PubChem CID 22984975) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-cyclopent-3-en-1-yl-6-(methylamino)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-cyclopent-3-en-1-yl-6-(methylamino)-1,4-oxazepan-5-one
PubChem CID22984975
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-cyclopent-3-en-1-yl-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(C2CC=CC2)C1=O
InChIInChI=1S/C11H18N2O2/c1-12-10-8-15-7-6-13(11(10)14)9-4-2-3-5-9/h2-3,9-10,12H,4-8H2,1H3
InChIKeyRDNXVUQIASCSSF-UHFFFAOYSA-N
XLogP0.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopent-3-en-1-yl-6-(methylamino)-1,4-oxazepan-5-one?
The IUPAC name of 4-cyclopent-3-en-1-yl-6-(methylamino)-1,4-oxazepan-5-one (CID 22984975) is 4-cyclopent-3-en-1-yl-6-(methylamino)-1,4-oxazepan-5-one.
What is the SMILES notation for 4-cyclopent-3-en-1-yl-6-(methylamino)-1,4-oxazepan-5-one?
The canonical SMILES for 4-cyclopent-3-en-1-yl-6-(methylamino)-1,4-oxazepan-5-one is CNC1COCCN(C2CC=CC2)C1=O.
What is the InChIKey of 4-cyclopent-3-en-1-yl-6-(methylamino)-1,4-oxazepan-5-one?
The InChIKey is RDNXVUQIASCSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-12-10-8-15-7-6-13(11(10)14)9-4-2-3-5-9/h2-3,9-10,12H,4-8H2,1H3.
What are the key properties of 4-cyclopent-3-en-1-yl-6-(methylamino)-1,4-oxazepan-5-one?
4-cyclopent-3-en-1-yl-6-(methylamino)-1,4-oxazepan-5-one has a molecular weight of 210.28 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopent-3-en-1-yl-6-(methylamino)-1,4-oxazepan-5-one is sourced from PubChem (CID 22984975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).