11-oxo-10-azabicyclo[7.2.0]undec-1-ene-10-sulfonyl chloride

C10H14ClNO3S — CID 131871983

IUPAC11-oxo-10-azabicyclo[7.2.0]undec-1-ene-10-sulfonyl chloride
SMILESO=C1C2=CCCCCCCC2N1S(=O)(=O)Cl
InChIInChI=1S/C10H14ClNO3S/c11-16(14,15)12-9-7-5-3-1-2-4-6-8(9)10(12)13/h6,9H,1-5,7H2
InChIKeyXKBOHUGNUOJNTM-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.96
Rot. Bonds1

About 11-oxo-10-azabicyclo[7.2.0]undec-1-ene-10-sulfonyl chloride

11-oxo-10-azabicyclo[7.2.0]undec-1-ene-10-sulfonyl chloride (PubChem CID 131871983) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 11-oxo-10-azabicyclo[7.2.0]undec-1-ene-10-sulfonyl chloride.

Molecular Properties

Compound Name11-oxo-10-azabicyclo[7.2.0]undec-1-ene-10-sulfonyl chloride
PubChem CID131871983
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC Name11-oxo-10-azabicyclo[7.2.0]undec-1-ene-10-sulfonyl chloride
SMILESO=C1C2=CCCCCCCC2N1S(=O)(=O)Cl
InChIInChI=1S/C10H14ClNO3S/c11-16(14,15)12-9-7-5-3-1-2-4-6-8(9)10(12)13/h6,9H,1-5,7H2
InChIKeyXKBOHUGNUOJNTM-UHFFFAOYSA-N
XLogP1.96
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-oxo-10-azabicyclo[7.2.0]undec-1-ene-10-sulfonyl chloride?
The IUPAC name of 11-oxo-10-azabicyclo[7.2.0]undec-1-ene-10-sulfonyl chloride (CID 131871983) is 11-oxo-10-azabicyclo[7.2.0]undec-1-ene-10-sulfonyl chloride.
What is the SMILES notation for 11-oxo-10-azabicyclo[7.2.0]undec-1-ene-10-sulfonyl chloride?
The canonical SMILES for 11-oxo-10-azabicyclo[7.2.0]undec-1-ene-10-sulfonyl chloride is O=C1C2=CCCCCCCC2N1S(=O)(=O)Cl.
What is the InChIKey of 11-oxo-10-azabicyclo[7.2.0]undec-1-ene-10-sulfonyl chloride?
The InChIKey is XKBOHUGNUOJNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S/c11-16(14,15)12-9-7-5-3-1-2-4-6-8(9)10(12)13/h6,9H,1-5,7H2.
What are the key properties of 11-oxo-10-azabicyclo[7.2.0]undec-1-ene-10-sulfonyl chloride?
11-oxo-10-azabicyclo[7.2.0]undec-1-ene-10-sulfonyl chloride has a molecular weight of 263.75 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxo-10-azabicyclo[7.2.0]undec-1-ene-10-sulfonyl chloride is sourced from PubChem (CID 131871983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).