(9Z)-9-butan-2-ylidene-5-thia-8-azaspiro[3.5]non-2-ene

C11H17NS — CID 118983461

IUPAC(9Z)-9-butan-2-ylidene-5-thia-8-azaspiro[3.5]non-2-ene
SMILESCC/C(C)=C1\NCCSC12C=CC2
InChIInChI=1S/C11H17NS/c1-3-9(2)10-11(5-4-6-11)13-8-7-12-10/h4-5,12H,3,6-8H2,1-2H3/b10-9-
InChIKeySYVNWEBHEOFWKE-KTKRTIGZSA-N
MW195.33 g/mol
LogP2.71
Rot. Bonds1

About (9Z)-9-butan-2-ylidene-5-thia-8-azaspiro[3.5]non-2-ene

(9Z)-9-butan-2-ylidene-5-thia-8-azaspiro[3.5]non-2-ene (PubChem CID 118983461) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is (9Z)-9-butan-2-ylidene-5-thia-8-azaspiro[3.5]non-2-ene.

Molecular Properties

Compound Name(9Z)-9-butan-2-ylidene-5-thia-8-azaspiro[3.5]non-2-ene
PubChem CID118983461
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name(9Z)-9-butan-2-ylidene-5-thia-8-azaspiro[3.5]non-2-ene
SMILESCC/C(C)=C1\NCCSC12C=CC2
InChIInChI=1S/C11H17NS/c1-3-9(2)10-11(5-4-6-11)13-8-7-12-10/h4-5,12H,3,6-8H2,1-2H3/b10-9-
InChIKeySYVNWEBHEOFWKE-KTKRTIGZSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (9Z)-9-butan-2-ylidene-5-thia-8-azaspiro[3.5]non-2-ene?
The IUPAC name of (9Z)-9-butan-2-ylidene-5-thia-8-azaspiro[3.5]non-2-ene (CID 118983461) is (9Z)-9-butan-2-ylidene-5-thia-8-azaspiro[3.5]non-2-ene.
What is the SMILES notation for (9Z)-9-butan-2-ylidene-5-thia-8-azaspiro[3.5]non-2-ene?
The canonical SMILES for (9Z)-9-butan-2-ylidene-5-thia-8-azaspiro[3.5]non-2-ene is CC/C(C)=C1\NCCSC12C=CC2.
What is the InChIKey of (9Z)-9-butan-2-ylidene-5-thia-8-azaspiro[3.5]non-2-ene?
The InChIKey is SYVNWEBHEOFWKE-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H17NS/c1-3-9(2)10-11(5-4-6-11)13-8-7-12-10/h4-5,12H,3,6-8H2,1-2H3/b10-9-.
What are the key properties of (9Z)-9-butan-2-ylidene-5-thia-8-azaspiro[3.5]non-2-ene?
(9Z)-9-butan-2-ylidene-5-thia-8-azaspiro[3.5]non-2-ene has a molecular weight of 195.33 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-9-butan-2-ylidene-5-thia-8-azaspiro[3.5]non-2-ene is sourced from PubChem (CID 118983461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).