N-[(1R)-6-fluoro-4-methoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]hydroxylamine

C17H24FNO2 — CID 139492342

IUPACN-[(1R)-6-fluoro-4-methoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]hydroxylamine
SMILESCOc1cc(F)c2c(c1)[C@@]1(C)CCCCCC(C2)C1NO
InChIInChI=1S/C17H24FNO2/c1-17-7-5-3-4-6-11(16(17)19-20)8-13-14(17)9-12(21-2)10-15(13)18/h9-11,16,19-20H,3-8H2,1-2H3/t11?,16?,17-/m1/s1
InChIKeyWPIWIDVOCUCXNE-ATVIMWCOSA-N
MW293.38 g/mol
LogP3.58
Rot. Bonds2

About N-[(1R)-6-fluoro-4-methoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]hydroxylamine

N-[(1R)-6-fluoro-4-methoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]hydroxylamine (PubChem CID 139492342) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is N-[(1R)-6-fluoro-4-methoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]hydroxylamine.

Molecular Properties

Compound NameN-[(1R)-6-fluoro-4-methoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]hydroxylamine
PubChem CID139492342
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC NameN-[(1R)-6-fluoro-4-methoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]hydroxylamine
SMILESCOc1cc(F)c2c(c1)[C@@]1(C)CCCCCC(C2)C1NO
InChIInChI=1S/C17H24FNO2/c1-17-7-5-3-4-6-11(16(17)19-20)8-13-14(17)9-12(21-2)10-15(13)18/h9-11,16,19-20H,3-8H2,1-2H3/t11?,16?,17-/m1/s1
InChIKeyWPIWIDVOCUCXNE-ATVIMWCOSA-N
XLogP3.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-6-fluoro-4-methoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]hydroxylamine?
The IUPAC name of N-[(1R)-6-fluoro-4-methoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]hydroxylamine (CID 139492342) is N-[(1R)-6-fluoro-4-methoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]hydroxylamine.
What is the SMILES notation for N-[(1R)-6-fluoro-4-methoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]hydroxylamine?
The canonical SMILES for N-[(1R)-6-fluoro-4-methoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]hydroxylamine is COc1cc(F)c2c(c1)[C@@]1(C)CCCCCC(C2)C1NO.
What is the InChIKey of N-[(1R)-6-fluoro-4-methoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]hydroxylamine?
The InChIKey is WPIWIDVOCUCXNE-ATVIMWCOSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-17-7-5-3-4-6-11(16(17)19-20)8-13-14(17)9-12(21-2)10-15(13)18/h9-11,16,19-20H,3-8H2,1-2H3/t11?,16?,17-/m1/s1.
What are the key properties of N-[(1R)-6-fluoro-4-methoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]hydroxylamine?
N-[(1R)-6-fluoro-4-methoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]hydroxylamine has a molecular weight of 293.38 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-6-fluoro-4-methoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]hydroxylamine is sourced from PubChem (CID 139492342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).