(2-cyanocyclopropyl)methyl hypochlorite

C5H6ClNO — CID 89241563

IUPAC(2-cyanocyclopropyl)methyl hypochlorite
SMILESN#CC1CC1COCl
InChIInChI=1S/C5H6ClNO/c6-8-3-5-1-4(5)2-7/h4-5H,1,3H2
InChIKeySTWYVVPBMOZLSG-UHFFFAOYSA-N
MW131.56 g/mol
LogP1.32
Rot. Bonds2

About (2-cyanocyclopropyl)methyl hypochlorite

(2-cyanocyclopropyl)methyl hypochlorite (PubChem CID 89241563) has the molecular formula C5H6ClNO and a molecular weight of 131.56 g/mol. Its IUPAC name is (2-cyanocyclopropyl)methyl hypochlorite.

Molecular Properties

Compound Name(2-cyanocyclopropyl)methyl hypochlorite
PubChem CID89241563
Molecular FormulaC5H6ClNO
Molecular Weight131.56 g/mol
Exact Mass131.01
IUPAC Name(2-cyanocyclopropyl)methyl hypochlorite
SMILESN#CC1CC1COCl
InChIInChI=1S/C5H6ClNO/c6-8-3-5-1-4(5)2-7/h4-5H,1,3H2
InChIKeySTWYVVPBMOZLSG-UHFFFAOYSA-N
XLogP1.32
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.56
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-cyanocyclopropyl)methyl hypochlorite?
The IUPAC name of (2-cyanocyclopropyl)methyl hypochlorite (CID 89241563) is (2-cyanocyclopropyl)methyl hypochlorite.
What is the SMILES notation for (2-cyanocyclopropyl)methyl hypochlorite?
The canonical SMILES for (2-cyanocyclopropyl)methyl hypochlorite is N#CC1CC1COCl.
What is the InChIKey of (2-cyanocyclopropyl)methyl hypochlorite?
The InChIKey is STWYVVPBMOZLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO/c6-8-3-5-1-4(5)2-7/h4-5H,1,3H2.
What are the key properties of (2-cyanocyclopropyl)methyl hypochlorite?
(2-cyanocyclopropyl)methyl hypochlorite has a molecular weight of 131.56 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanocyclopropyl)methyl hypochlorite is sourced from PubChem (CID 89241563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).