(2Z)-N-ethenyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine

C11H15NS — CID 170732057

IUPAC(2Z)-N-ethenyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
SMILESC=C/N=C1\C=CS\C1=C(\C)C(C)C
InChIInChI=1S/C11H15NS/c1-5-12-10-6-7-13-11(10)9(4)8(2)3/h5-8H,1H2,2-4H3/b11-9-,12-10+
InChIKeyJXRJJEOGTLNNLF-DSOJMZEYSA-N
MW193.31 g/mol
LogP3.76
Rot. Bonds2

About (2Z)-N-ethenyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine

(2Z)-N-ethenyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine (PubChem CID 170732057) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is (2Z)-N-ethenyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine.

Molecular Properties

Compound Name(2Z)-N-ethenyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
PubChem CID170732057
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name(2Z)-N-ethenyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
SMILESC=C/N=C1\C=CS\C1=C(\C)C(C)C
InChIInChI=1S/C11H15NS/c1-5-12-10-6-7-13-11(10)9(4)8(2)3/h5-8H,1H2,2-4H3/b11-9-,12-10+
InChIKeyJXRJJEOGTLNNLF-DSOJMZEYSA-N
XLogP3.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6,7-dimethyl-7H-thieno[3,2-b]azepine
CID 123404675
(2E)-2-butylidene-3-methyl-1,4-thiazine
CID 123512371
6-Propan-2-yl-8-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 138746138
(2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 153342696
(2Z)-N-ethenyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 153342757
6-Butan-2-yl-8-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 156215764
(3E)-N-ethenyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine
CID 170593186
ethane;N-ethyl-2-propan-2-ylidenethiophen-3-imine
CID 170732073
(2Z)-N-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 172242064
ethane;(2E)-N-ethenyl-2-ethylidenethiophen-3-imine
CID 178004056
(2E)-N-ethyl-2-ethylidenethiophen-3-imine
CID 144296092
N-ethyl-2-propan-2-ylidenethiophen-3-imine
CID 170732074

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-ethenyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine?
The IUPAC name of (2Z)-N-ethenyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine (CID 170732057) is (2Z)-N-ethenyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine.
What is the SMILES notation for (2Z)-N-ethenyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine?
The canonical SMILES for (2Z)-N-ethenyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine is C=C/N=C1\C=CS\C1=C(\C)C(C)C.
What is the InChIKey of (2Z)-N-ethenyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine?
The InChIKey is JXRJJEOGTLNNLF-DSOJMZEYSA-N. The full InChI is InChI=1S/C11H15NS/c1-5-12-10-6-7-13-11(10)9(4)8(2)3/h5-8H,1H2,2-4H3/b11-9-,12-10+.
What are the key properties of (2Z)-N-ethenyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine?
(2Z)-N-ethenyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine has a molecular weight of 193.31 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-ethenyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine is sourced from PubChem (CID 170732057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).