8-benzyl-3-(cyclopenten-1-yl)-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine

C19H21N3O — CID 66993365

IUPAC8-benzyl-3-(cyclopenten-1-yl)-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine
SMILESC1=C(c2cnc3c(n2)OCCN(Cc2ccccc2)C3)CCC1
InChIInChI=1S/C19H21N3O/c1-2-6-15(7-3-1)13-22-10-11-23-19-18(14-22)20-12-17(21-19)16-8-4-5-9-16/h1-3,6-8,12H,4-5,9-11,13-14H2
InChIKeyCBYFSBASTVMMHQ-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.44
Rot. Bonds3

About 8-benzyl-3-(cyclopenten-1-yl)-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine

8-benzyl-3-(cyclopenten-1-yl)-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine (PubChem CID 66993365) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 8-benzyl-3-(cyclopenten-1-yl)-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine.

Molecular Properties

Compound Name8-benzyl-3-(cyclopenten-1-yl)-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine
PubChem CID66993365
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name8-benzyl-3-(cyclopenten-1-yl)-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine
SMILESC1=C(c2cnc3c(n2)OCCN(Cc2ccccc2)C3)CCC1
InChIInChI=1S/C19H21N3O/c1-2-6-15(7-3-1)13-22-10-11-23-19-18(14-22)20-12-17(21-19)16-8-4-5-9-16/h1-3,6-8,12H,4-5,9-11,13-14H2
InChIKeyCBYFSBASTVMMHQ-UHFFFAOYSA-N
XLogP3.44
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-(cyclopenten-1-yl)-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine?
The IUPAC name of 8-benzyl-3-(cyclopenten-1-yl)-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine (CID 66993365) is 8-benzyl-3-(cyclopenten-1-yl)-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine.
What is the SMILES notation for 8-benzyl-3-(cyclopenten-1-yl)-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine?
The canonical SMILES for 8-benzyl-3-(cyclopenten-1-yl)-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine is C1=C(c2cnc3c(n2)OCCN(Cc2ccccc2)C3)CCC1.
What is the InChIKey of 8-benzyl-3-(cyclopenten-1-yl)-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine?
The InChIKey is CBYFSBASTVMMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-2-6-15(7-3-1)13-22-10-11-23-19-18(14-22)20-12-17(21-19)16-8-4-5-9-16/h1-3,6-8,12H,4-5,9-11,13-14H2.
What are the key properties of 8-benzyl-3-(cyclopenten-1-yl)-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine?
8-benzyl-3-(cyclopenten-1-yl)-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine has a molecular weight of 307.40 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-(cyclopenten-1-yl)-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine is sourced from PubChem (CID 66993365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).