(6S)-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-3-en-8-one

C7H9NOS — CID 22795893

IUPAC(6S)-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-3-en-8-one
SMILESCC1C(=O)N2CC=CS[C@@H]12
InChIInChI=1S/C7H9NOS/c1-5-6(9)8-3-2-4-10-7(5)8/h2,4-5,7H,3H2,1H3/t5?,7-/m0/s1
InChIKeyUDENTCDDVCWEFO-MSZQBOFLSA-N
MW155.22 g/mol
LogP1.05
Rot. Bonds

About (6S)-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-3-en-8-one

(6S)-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-3-en-8-one (PubChem CID 22795893) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is (6S)-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-3-en-8-one.

Molecular Properties

Compound Name(6S)-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-3-en-8-one
PubChem CID22795893
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name(6S)-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-3-en-8-one
SMILESCC1C(=O)N2CC=CS[C@@H]12
InChIInChI=1S/C7H9NOS/c1-5-6(9)8-3-2-4-10-7(5)8/h2,4-5,7H,3H2,1H3/t5?,7-/m0/s1
InChIKeyUDENTCDDVCWEFO-MSZQBOFLSA-N
XLogP1.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-3-en-8-one?
The IUPAC name of (6S)-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-3-en-8-one (CID 22795893) is (6S)-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-3-en-8-one.
What is the SMILES notation for (6S)-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-3-en-8-one?
The canonical SMILES for (6S)-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-3-en-8-one is CC1C(=O)N2CC=CS[C@@H]12.
What is the InChIKey of (6S)-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-3-en-8-one?
The InChIKey is UDENTCDDVCWEFO-MSZQBOFLSA-N. The full InChI is InChI=1S/C7H9NOS/c1-5-6(9)8-3-2-4-10-7(5)8/h2,4-5,7H,3H2,1H3/t5?,7-/m0/s1.
What are the key properties of (6S)-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-3-en-8-one?
(6S)-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-3-en-8-one has a molecular weight of 155.22 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-3-en-8-one is sourced from PubChem (CID 22795893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).