[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine

C15H22FN3O — CID 105245007

IUPAC[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine
SMILESCc1ccc(F)cc1C(NN)C1CN2CCCC2CO1
InChIInChI=1S/C15H22FN3O/c1-10-4-5-11(16)7-13(10)15(18-17)14-8-19-6-2-3-12(19)9-20-14/h4-5,7,12,14-15,18H,2-3,6,8-9,17H2,1H3
InChIKeyFQRURFPHVVNCNQ-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.50
Rot. Bonds3

About [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine

[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine (PubChem CID 105245007) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine
PubChem CID105245007
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine
SMILESCc1ccc(F)cc1C(NN)C1CN2CCCC2CO1
InChIInChI=1S/C15H22FN3O/c1-10-4-5-11(16)7-13(10)15(18-17)14-8-19-6-2-3-12(19)9-20-14/h4-5,7,12,14-15,18H,2-3,6,8-9,17H2,1H3
InChIKeyFQRURFPHVVNCNQ-UHFFFAOYSA-N
XLogP1.50
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine?
The IUPAC name of [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine (CID 105245007) is [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine?
The canonical SMILES for [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine is Cc1ccc(F)cc1C(NN)C1CN2CCCC2CO1.
What is the InChIKey of [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine?
The InChIKey is FQRURFPHVVNCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-10-4-5-11(16)7-13(10)15(18-17)14-8-19-6-2-3-12(19)9-20-14/h4-5,7,12,14-15,18H,2-3,6,8-9,17H2,1H3.
What are the key properties of [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine?
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine has a molecular weight of 279.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 105245007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).