4-(oxan-3-ylamino)azepan-2-one

C11H20N2O2 — CID 63888881

IUPAC4-(oxan-3-ylamino)azepan-2-one
SMILESO=C1CC(NC2CCCOC2)CCCN1
InChIInChI=1S/C11H20N2O2/c14-11-7-9(3-1-5-12-11)13-10-4-2-6-15-8-10/h9-10,13H,1-8H2,(H,12,14)
InChIKeyGRLSIKBVLGHMHM-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.42
Rot. Bonds2

About 4-(oxan-3-ylamino)azepan-2-one

4-(oxan-3-ylamino)azepan-2-one (PubChem CID 63888881) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-(oxan-3-ylamino)azepan-2-one.

Molecular Properties

Compound Name4-(oxan-3-ylamino)azepan-2-one
PubChem CID63888881
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-(oxan-3-ylamino)azepan-2-one
SMILESO=C1CC(NC2CCCOC2)CCCN1
InChIInChI=1S/C11H20N2O2/c14-11-7-9(3-1-5-12-11)13-10-4-2-6-15-8-10/h9-10,13H,1-8H2,(H,12,14)
InChIKeyGRLSIKBVLGHMHM-UHFFFAOYSA-N
XLogP0.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2,2,2-Trifluoroethoxy)ethylamino]azepan-2-one
CID 63889475
4-[2-(2,2-Difluoroethoxy)ethylamino]azepan-2-one
CID 105908605
3-[(2-Fluorooxan-3-yl)amino]azepan-2-one
CID 126857041
(3R)-3-(oxan-2-ylmethylamino)azepan-2-one
CID 68875999
(3R)-3-amino-1-(3-morpholin-4-ylpropyl)azepan-2-one
CID 69514918
(4S)-4-amino-1-(2-methoxyethyl)azepan-2-one
CID 69986766
N-[(3S,5R)-5-(hexanoylamino)oxan-3-yl]hexanamide
CID 145328883
Azepan-2-one;morpholine
CID 158589160
3-(3-Morpholin-4-ylpropylamino)azepan-2-one
CID 43244667
3-(Oxan-2-ylmethylamino)azepan-2-one
CID 61609383
N-(oxan-2-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61611769
N-(2-butoxyethyl)-2-piperidin-2-ylacetamide
CID 61881031

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-3-ylamino)azepan-2-one?
The IUPAC name of 4-(oxan-3-ylamino)azepan-2-one (CID 63888881) is 4-(oxan-3-ylamino)azepan-2-one.
What is the SMILES notation for 4-(oxan-3-ylamino)azepan-2-one?
The canonical SMILES for 4-(oxan-3-ylamino)azepan-2-one is O=C1CC(NC2CCCOC2)CCCN1.
What is the InChIKey of 4-(oxan-3-ylamino)azepan-2-one?
The InChIKey is GRLSIKBVLGHMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-11-7-9(3-1-5-12-11)13-10-4-2-6-15-8-10/h9-10,13H,1-8H2,(H,12,14).
What are the key properties of 4-(oxan-3-ylamino)azepan-2-one?
4-(oxan-3-ylamino)azepan-2-one has a molecular weight of 212.29 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-3-ylamino)azepan-2-one is sourced from PubChem (CID 63888881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).