1-hydroxy-6-(2-morpholin-4-ylethylamino)-5,6-dihydro-2H-azepin-7-one

C12H21N3O3 — CID 68515250

IUPAC1-hydroxy-6-(2-morpholin-4-ylethylamino)-5,6-dihydro-2H-azepin-7-one
SMILESO=C1C(NCCN2CCOCC2)CC=CCN1O
InChIInChI=1S/C12H21N3O3/c16-12-11(3-1-2-5-15(12)17)13-4-6-14-7-9-18-10-8-14/h1-2,11,13,17H,3-10H2
InChIKeyHZOPBLWYDNGUCX-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.55
Rot. Bonds4

About 1-hydroxy-6-(2-morpholin-4-ylethylamino)-5,6-dihydro-2H-azepin-7-one

1-hydroxy-6-(2-morpholin-4-ylethylamino)-5,6-dihydro-2H-azepin-7-one (PubChem CID 68515250) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-hydroxy-6-(2-morpholin-4-ylethylamino)-5,6-dihydro-2H-azepin-7-one.

Molecular Properties

Compound Name1-hydroxy-6-(2-morpholin-4-ylethylamino)-5,6-dihydro-2H-azepin-7-one
PubChem CID68515250
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-hydroxy-6-(2-morpholin-4-ylethylamino)-5,6-dihydro-2H-azepin-7-one
SMILESO=C1C(NCCN2CCOCC2)CC=CCN1O
InChIInChI=1S/C12H21N3O3/c16-12-11(3-1-2-5-15(12)17)13-4-6-14-7-9-18-10-8-14/h1-2,11,13,17H,3-10H2
InChIKeyHZOPBLWYDNGUCX-UHFFFAOYSA-N
XLogP-0.55
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-(2-morpholin-4-ylethylamino)-5,6-dihydro-2H-azepin-7-one?
The IUPAC name of 1-hydroxy-6-(2-morpholin-4-ylethylamino)-5,6-dihydro-2H-azepin-7-one (CID 68515250) is 1-hydroxy-6-(2-morpholin-4-ylethylamino)-5,6-dihydro-2H-azepin-7-one.
What is the SMILES notation for 1-hydroxy-6-(2-morpholin-4-ylethylamino)-5,6-dihydro-2H-azepin-7-one?
The canonical SMILES for 1-hydroxy-6-(2-morpholin-4-ylethylamino)-5,6-dihydro-2H-azepin-7-one is O=C1C(NCCN2CCOCC2)CC=CCN1O.
What is the InChIKey of 1-hydroxy-6-(2-morpholin-4-ylethylamino)-5,6-dihydro-2H-azepin-7-one?
The InChIKey is HZOPBLWYDNGUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c16-12-11(3-1-2-5-15(12)17)13-4-6-14-7-9-18-10-8-14/h1-2,11,13,17H,3-10H2.
What are the key properties of 1-hydroxy-6-(2-morpholin-4-ylethylamino)-5,6-dihydro-2H-azepin-7-one?
1-hydroxy-6-(2-morpholin-4-ylethylamino)-5,6-dihydro-2H-azepin-7-one has a molecular weight of 255.32 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-(2-morpholin-4-ylethylamino)-5,6-dihydro-2H-azepin-7-one is sourced from PubChem (CID 68515250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).