10-cyclopropyl-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazepin-11-one

C15H18N2O2 — CID 58015254

IUPAC10-cyclopropyl-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazepin-11-one
SMILESO=C1c2c(cccc2C2CC2)OCC2CNCCN12
InChIInChI=1S/C15H18N2O2/c18-15-14-12(10-4-5-10)2-1-3-13(14)19-9-11-8-16-6-7-17(11)15/h1-3,10-11,16H,4-9H2
InChIKeyTWMHDCMPPJQDMK-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.37
Rot. Bonds1

About 10-cyclopropyl-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazepin-11-one

10-cyclopropyl-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazepin-11-one (PubChem CID 58015254) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 10-cyclopropyl-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazepin-11-one.

Molecular Properties

Compound Name10-cyclopropyl-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazepin-11-one
PubChem CID58015254
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name10-cyclopropyl-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazepin-11-one
SMILESO=C1c2c(cccc2C2CC2)OCC2CNCCN12
InChIInChI=1S/C15H18N2O2/c18-15-14-12(10-4-5-10)2-1-3-13(14)19-9-11-8-16-6-7-17(11)15/h1-3,10-11,16H,4-9H2
InChIKeyTWMHDCMPPJQDMK-UHFFFAOYSA-N
XLogP1.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-cyclopropyl-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazepin-11-one?
The IUPAC name of 10-cyclopropyl-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazepin-11-one (CID 58015254) is 10-cyclopropyl-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazepin-11-one.
What is the SMILES notation for 10-cyclopropyl-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazepin-11-one?
The canonical SMILES for 10-cyclopropyl-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazepin-11-one is O=C1c2c(cccc2C2CC2)OCC2CNCCN12.
What is the InChIKey of 10-cyclopropyl-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazepin-11-one?
The InChIKey is TWMHDCMPPJQDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15-14-12(10-4-5-10)2-1-3-13(14)19-9-11-8-16-6-7-17(11)15/h1-3,10-11,16H,4-9H2.
What are the key properties of 10-cyclopropyl-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazepin-11-one?
10-cyclopropyl-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazepin-11-one has a molecular weight of 258.32 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclopropyl-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazepin-11-one is sourced from PubChem (CID 58015254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).