1-bicyclo[2.2.1]heptanyl hypochlorite

C7H11ClO — CID 141155008

IUPAC1-bicyclo[2.2.1]heptanyl hypochlorite
SMILESClOC12CCC(CC1)C2
InChIInChI=1S/C7H11ClO/c8-9-7-3-1-6(5-7)2-4-7/h6H,1-5H2
InChIKeyYVVQLVBGLJKYQZ-UHFFFAOYSA-N
MW146.62 g/mol
LogP2.49
Rot. Bonds1

About 1-bicyclo[2.2.1]heptanyl hypochlorite

1-bicyclo[2.2.1]heptanyl hypochlorite (PubChem CID 141155008) has the molecular formula C7H11ClO and a molecular weight of 146.62 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]heptanyl hypochlorite.

Molecular Properties

Compound Name1-bicyclo[2.2.1]heptanyl hypochlorite
PubChem CID141155008
Molecular FormulaC7H11ClO
Molecular Weight146.62 g/mol
Exact Mass146.05
IUPAC Name1-bicyclo[2.2.1]heptanyl hypochlorite
SMILESClOC12CCC(CC1)C2
InChIInChI=1S/C7H11ClO/c8-9-7-3-1-6(5-7)2-4-7/h6H,1-5H2
InChIKeyYVVQLVBGLJKYQZ-UHFFFAOYSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[2.2.1]heptanyl hypochlorite?
The IUPAC name of 1-bicyclo[2.2.1]heptanyl hypochlorite (CID 141155008) is 1-bicyclo[2.2.1]heptanyl hypochlorite.
What is the SMILES notation for 1-bicyclo[2.2.1]heptanyl hypochlorite?
The canonical SMILES for 1-bicyclo[2.2.1]heptanyl hypochlorite is ClOC12CCC(CC1)C2.
What is the InChIKey of 1-bicyclo[2.2.1]heptanyl hypochlorite?
The InChIKey is YVVQLVBGLJKYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO/c8-9-7-3-1-6(5-7)2-4-7/h6H,1-5H2.
What are the key properties of 1-bicyclo[2.2.1]heptanyl hypochlorite?
1-bicyclo[2.2.1]heptanyl hypochlorite has a molecular weight of 146.62 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.1]heptanyl hypochlorite is sourced from PubChem (CID 141155008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).