(2E,3E)-2-but-3-en-2-ylidene-3-ethylidenethiomorpholine

C10H15NS — CID 146535222

IUPAC(2E,3E)-2-but-3-en-2-ylidene-3-ethylidenethiomorpholine
SMILESC=C/C(C)=C1/SCCN/C1=C/C
InChIInChI=1S/C10H15NS/c1-4-8(3)10-9(5-2)11-6-7-12-10/h4-5,11H,1,6-7H2,2-3H3/b9-5+,10-8+
InChIKeyAVYDZASSLOLDDR-MUDDOMJDSA-N
MW181.30 g/mol
LogP2.69
Rot. Bonds1

About (2E,3E)-2-but-3-en-2-ylidene-3-ethylidenethiomorpholine

(2E,3E)-2-but-3-en-2-ylidene-3-ethylidenethiomorpholine (PubChem CID 146535222) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is (2E,3E)-2-but-3-en-2-ylidene-3-ethylidenethiomorpholine.

Molecular Properties

Compound Name(2E,3E)-2-but-3-en-2-ylidene-3-ethylidenethiomorpholine
PubChem CID146535222
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name(2E,3E)-2-but-3-en-2-ylidene-3-ethylidenethiomorpholine
SMILESC=C/C(C)=C1/SCCN/C1=C/C
InChIInChI=1S/C10H15NS/c1-4-8(3)10-9(5-2)11-6-7-12-10/h4-5,11H,1,6-7H2,2-3H3/b9-5+,10-8+
InChIKeyAVYDZASSLOLDDR-MUDDOMJDSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E,3E)-2-but-3-en-2-ylidene-3-ethylidenethiomorpholine?
The IUPAC name of (2E,3E)-2-but-3-en-2-ylidene-3-ethylidenethiomorpholine (CID 146535222) is (2E,3E)-2-but-3-en-2-ylidene-3-ethylidenethiomorpholine.
What is the SMILES notation for (2E,3E)-2-but-3-en-2-ylidene-3-ethylidenethiomorpholine?
The canonical SMILES for (2E,3E)-2-but-3-en-2-ylidene-3-ethylidenethiomorpholine is C=C/C(C)=C1/SCCN/C1=C/C.
What is the InChIKey of (2E,3E)-2-but-3-en-2-ylidene-3-ethylidenethiomorpholine?
The InChIKey is AVYDZASSLOLDDR-MUDDOMJDSA-N. The full InChI is InChI=1S/C10H15NS/c1-4-8(3)10-9(5-2)11-6-7-12-10/h4-5,11H,1,6-7H2,2-3H3/b9-5+,10-8+.
What are the key properties of (2E,3E)-2-but-3-en-2-ylidene-3-ethylidenethiomorpholine?
(2E,3E)-2-but-3-en-2-ylidene-3-ethylidenethiomorpholine has a molecular weight of 181.30 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2-but-3-en-2-ylidene-3-ethylidenethiomorpholine is sourced from PubChem (CID 146535222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).