7-ethyl-5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1,4-oxazepin-3-ol

C13H21NO2 — CID 131977865

IUPAC7-ethyl-5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1,4-oxazepin-3-ol
SMILESC/C=C\C1=C(/C=C\C)C(CC)OCC(O)N1
InChIInChI=1S/C13H21NO2/c1-4-7-10-11(8-5-2)14-13(15)9-16-12(10)6-3/h4-5,7-8,12-15H,6,9H2,1-3H3/b7-4-,8-5-
InChIKeyIONHYUKNPMRGSO-IUNAMMOKSA-N
MW223.32 g/mol
LogP2.11
Rot. Bonds3

About 7-ethyl-5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1,4-oxazepin-3-ol

7-ethyl-5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1,4-oxazepin-3-ol (PubChem CID 131977865) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 7-ethyl-5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1,4-oxazepin-3-ol.

Molecular Properties

Compound Name7-ethyl-5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1,4-oxazepin-3-ol
PubChem CID131977865
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name7-ethyl-5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1,4-oxazepin-3-ol
SMILESC/C=C\C1=C(/C=C\C)C(CC)OCC(O)N1
InChIInChI=1S/C13H21NO2/c1-4-7-10-11(8-5-2)14-13(15)9-16-12(10)6-3/h4-5,7-8,12-15H,6,9H2,1-3H3/b7-4-,8-5-
InChIKeyIONHYUKNPMRGSO-IUNAMMOKSA-N
XLogP2.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-1-(2-hydroxyethylamino)-3-[4-(methylamino)-2,5-dihydrofuran-3-yl]prop-2-en-1-ol
CID 143857176

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1,4-oxazepin-3-ol?
The IUPAC name of 7-ethyl-5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1,4-oxazepin-3-ol (CID 131977865) is 7-ethyl-5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1,4-oxazepin-3-ol.
What is the SMILES notation for 7-ethyl-5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1,4-oxazepin-3-ol?
The canonical SMILES for 7-ethyl-5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1,4-oxazepin-3-ol is C/C=C\C1=C(/C=C\C)C(CC)OCC(O)N1.
What is the InChIKey of 7-ethyl-5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1,4-oxazepin-3-ol?
The InChIKey is IONHYUKNPMRGSO-IUNAMMOKSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-7-10-11(8-5-2)14-13(15)9-16-12(10)6-3/h4-5,7-8,12-15H,6,9H2,1-3H3/b7-4-,8-5-.
What are the key properties of 7-ethyl-5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1,4-oxazepin-3-ol?
7-ethyl-5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1,4-oxazepin-3-ol has a molecular weight of 223.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1,4-oxazepin-3-ol is sourced from PubChem (CID 131977865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).