(5R)-6-prop-2-enylidene-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one

C8H7NOS — CID 173099219

IUPAC(5R)-6-prop-2-enylidene-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one
SMILESC=CC=C1C(=O)N2C=CS[C@H]12
InChIInChI=1S/C8H7NOS/c1-2-3-6-7(10)9-4-5-11-8(6)9/h2-5,8H,1H2/t8-/m1/s1
InChIKeyIEURRMAKOXRLIQ-MRVPVSSYSA-N
MW165.22 g/mol
LogP1.49
Rot. Bonds1

About (5R)-6-prop-2-enylidene-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one

(5R)-6-prop-2-enylidene-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one (PubChem CID 173099219) has the molecular formula C8H7NOS and a molecular weight of 165.22 g/mol. Its IUPAC name is (5R)-6-prop-2-enylidene-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one.

Molecular Properties

Compound Name(5R)-6-prop-2-enylidene-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one
PubChem CID173099219
Molecular FormulaC8H7NOS
Molecular Weight165.22 g/mol
Exact Mass165.02
IUPAC Name(5R)-6-prop-2-enylidene-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one
SMILESC=CC=C1C(=O)N2C=CS[C@H]12
InChIInChI=1S/C8H7NOS/c1-2-3-6-7(10)9-4-5-11-8(6)9/h2-5,8H,1H2/t8-/m1/s1
InChIKeyIEURRMAKOXRLIQ-MRVPVSSYSA-N
XLogP1.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-6-prop-2-enylidene-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one?
The IUPAC name of (5R)-6-prop-2-enylidene-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one (CID 173099219) is (5R)-6-prop-2-enylidene-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one.
What is the SMILES notation for (5R)-6-prop-2-enylidene-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one?
The canonical SMILES for (5R)-6-prop-2-enylidene-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one is C=CC=C1C(=O)N2C=CS[C@H]12.
What is the InChIKey of (5R)-6-prop-2-enylidene-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one?
The InChIKey is IEURRMAKOXRLIQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H7NOS/c1-2-3-6-7(10)9-4-5-11-8(6)9/h2-5,8H,1H2/t8-/m1/s1.
What are the key properties of (5R)-6-prop-2-enylidene-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one?
(5R)-6-prop-2-enylidene-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one has a molecular weight of 165.22 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-prop-2-enylidene-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one is sourced from PubChem (CID 173099219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).