1-bicyclo[2.2.1]heptanyloxy-dihydroxy-imino-λ5-phosphane

C7H14NO3P — CID 68501514

IUPAC1-bicyclo[2.2.1]heptanyloxy-dihydroxy-imino-λ5-phosphane
SMILES[H]N=P(O)(O)OC12CCC(CC1)C2
InChIInChI=1S/C7H14NO3P/c8-12(9,10)11-7-3-1-6(5-7)2-4-7/h6H,1-5H2,(H3,8,9,10)
InChIKeyNUDORIRNYKYIBF-UHFFFAOYSA-N
MW191.17 g/mol
LogP1.85
Rot. Bonds2

About 1-bicyclo[2.2.1]heptanyloxy-dihydroxy-imino-λ5-phosphane

1-bicyclo[2.2.1]heptanyloxy-dihydroxy-imino-λ5-phosphane (PubChem CID 68501514) has the molecular formula C7H14NO3P and a molecular weight of 191.17 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]heptanyloxy-dihydroxy-imino-λ5-phosphane.

Molecular Properties

Compound Name1-bicyclo[2.2.1]heptanyloxy-dihydroxy-imino-λ5-phosphane
PubChem CID68501514
Molecular FormulaC7H14NO3P
Molecular Weight191.17 g/mol
Exact Mass191.07
IUPAC Name1-bicyclo[2.2.1]heptanyloxy-dihydroxy-imino-λ5-phosphane
SMILES[H]N=P(O)(O)OC12CCC(CC1)C2
InChIInChI=1S/C7H14NO3P/c8-12(9,10)11-7-3-1-6(5-7)2-4-7/h6H,1-5H2,(H3,8,9,10)
InChIKeyNUDORIRNYKYIBF-UHFFFAOYSA-N
XLogP1.85
TPSA73.54 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[2.2.1]heptanyloxy-dihydroxy-imino-λ5-phosphane?
The IUPAC name of 1-bicyclo[2.2.1]heptanyloxy-dihydroxy-imino-λ5-phosphane (CID 68501514) is 1-bicyclo[2.2.1]heptanyloxy-dihydroxy-imino-λ5-phosphane.
What is the SMILES notation for 1-bicyclo[2.2.1]heptanyloxy-dihydroxy-imino-λ5-phosphane?
The canonical SMILES for 1-bicyclo[2.2.1]heptanyloxy-dihydroxy-imino-λ5-phosphane is [H]N=P(O)(O)OC12CCC(CC1)C2.
What is the InChIKey of 1-bicyclo[2.2.1]heptanyloxy-dihydroxy-imino-λ5-phosphane?
The InChIKey is NUDORIRNYKYIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO3P/c8-12(9,10)11-7-3-1-6(5-7)2-4-7/h6H,1-5H2,(H3,8,9,10).
What are the key properties of 1-bicyclo[2.2.1]heptanyloxy-dihydroxy-imino-λ5-phosphane?
1-bicyclo[2.2.1]heptanyloxy-dihydroxy-imino-λ5-phosphane has a molecular weight of 191.17 g/mol, XLogP of 1.85, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.1]heptanyloxy-dihydroxy-imino-λ5-phosphane is sourced from PubChem (CID 68501514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).