3-prop-2-enyl-1-thia-3-azaspiro[4.4]non-7-ene-2,4-dione

C10H11NO2S — CID 53386505

IUPAC3-prop-2-enyl-1-thia-3-azaspiro[4.4]non-7-ene-2,4-dione
SMILESC=CCN1C(=O)SC2(CC=CC2)C1=O
InChIInChI=1S/C10H11NO2S/c1-2-7-11-8(12)10(14-9(11)13)5-3-4-6-10/h2-4H,1,5-7H2
InChIKeyWOUUCCFABMTQNP-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.96
Rot. Bonds2

About 3-prop-2-enyl-1-thia-3-azaspiro[4.4]non-7-ene-2,4-dione

3-prop-2-enyl-1-thia-3-azaspiro[4.4]non-7-ene-2,4-dione (PubChem CID 53386505) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 3-prop-2-enyl-1-thia-3-azaspiro[4.4]non-7-ene-2,4-dione.

Molecular Properties

Compound Name3-prop-2-enyl-1-thia-3-azaspiro[4.4]non-7-ene-2,4-dione
PubChem CID53386505
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name3-prop-2-enyl-1-thia-3-azaspiro[4.4]non-7-ene-2,4-dione
SMILESC=CCN1C(=O)SC2(CC=CC2)C1=O
InChIInChI=1S/C10H11NO2S/c1-2-7-11-8(12)10(14-9(11)13)5-3-4-6-10/h2-4H,1,5-7H2
InChIKeyWOUUCCFABMTQNP-UHFFFAOYSA-N
XLogP1.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-4-(2,4-dioxo-1-thia-3-azaspiro[4.4]non-7-en-3-yl)but-2-enyl]-1-thia-3-azaspiro[4.4]non-7-ene-2,4-dione
CID 53387968
2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 13184973
1-prop-2-enyl-3H-pyridine-2,6-dione
CID 131019098
1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione
CID 15620660
15-prop-2-enyl-7,15-diazadispiro[5.1.58.36]hexadecane-14,16-dione
CID 71329902
2-methylidene-1-prop-2-enyl-3H-pyridin-6-one
CID 134556414
2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 123730959
8-ethyl-7,7,9,9-tetramethyl-3-prop-2-enyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 57183400
(5Z)-5-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 1235610
5,5-diethyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 24186
(5Z)-5-[[4-(4-methylphenyl)phenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 88888187
5,6-dimethyl-2-prop-2-enylisoindole-1,3-dione
CID 102041761

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-1-thia-3-azaspiro[4.4]non-7-ene-2,4-dione?
The IUPAC name of 3-prop-2-enyl-1-thia-3-azaspiro[4.4]non-7-ene-2,4-dione (CID 53386505) is 3-prop-2-enyl-1-thia-3-azaspiro[4.4]non-7-ene-2,4-dione.
What is the SMILES notation for 3-prop-2-enyl-1-thia-3-azaspiro[4.4]non-7-ene-2,4-dione?
The canonical SMILES for 3-prop-2-enyl-1-thia-3-azaspiro[4.4]non-7-ene-2,4-dione is C=CCN1C(=O)SC2(CC=CC2)C1=O.
What is the InChIKey of 3-prop-2-enyl-1-thia-3-azaspiro[4.4]non-7-ene-2,4-dione?
The InChIKey is WOUUCCFABMTQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-2-7-11-8(12)10(14-9(11)13)5-3-4-6-10/h2-4H,1,5-7H2.
What are the key properties of 3-prop-2-enyl-1-thia-3-azaspiro[4.4]non-7-ene-2,4-dione?
3-prop-2-enyl-1-thia-3-azaspiro[4.4]non-7-ene-2,4-dione has a molecular weight of 209.27 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-1-thia-3-azaspiro[4.4]non-7-ene-2,4-dione is sourced from PubChem (CID 53386505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).