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

C11H15NS — CID 170593186

IUPAC(3E)-N-ethenyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine
SMILESC=C/N=C1\SC=C\C1=C(\C)C(C)C
InChIInChI=1S/C11H15NS/c1-5-12-11-10(6-7-13-11)9(4)8(2)3/h5-8H,1H2,2-4H3/b10-9+,12-11-
InChIKeyHNHCOWKDIRMMRQ-PVHUKWJHSA-N
MW193.31 g/mol
LogP3.76
Rot. Bonds2

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

(3E)-N-ethenyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine (PubChem CID 170593186) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is (3E)-N-ethenyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine.

Molecular Properties

Compound Name(3E)-N-ethenyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine
PubChem CID170593186
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name(3E)-N-ethenyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine
SMILESC=C/N=C1\SC=C\C1=C(\C)C(C)C
InChIInChI=1S/C11H15NS/c1-5-12-11-10(6-7-13-11)9(4)8(2)3/h5-8H,1H2,2-4H3/b10-9+,12-11-
InChIKeyHNHCOWKDIRMMRQ-PVHUKWJHSA-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': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5,6-dimethyl-5H-thieno[2,3-b]azepine
CID 123293227
N-ethenyl-5-propan-2-yl-3-propan-2-ylidenethiophen-2-imine
CID 129225415
6-Propan-2-yl-10-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
CID 138722117
6-Propan-2-yl-10-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
CID 138722173
6-Propan-2-yl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 138722175
(Z,2E)-N,3-bis(ethenyl)-2-[(2-methyl-2,3-dihydrothiophen-3-yl)methylidene]pent-3-en-1-imine;ethane
CID 142177842
ethane;(3Z)-N-ethenyl-3-ethylidene-5-methylthiophen-2-imine
CID 142981534
5-methyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine
CID 143900807
5-ethyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine
CID 144840803
(3E)-N-ethyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine
CID 153342639
(3E)-N-ethyl-3-(3-methylpentan-2-ylidene)thiophen-2-imine
CID 153342670
2H-thieno[2,3-b]azepine
CID 154275911

Frequently Asked Questions

What is the IUPAC name of (3E)-N-ethenyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine?
The IUPAC name of (3E)-N-ethenyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine (CID 170593186) is (3E)-N-ethenyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine.
What is the SMILES notation for (3E)-N-ethenyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine?
The canonical SMILES for (3E)-N-ethenyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine is C=C/N=C1\SC=C\C1=C(\C)C(C)C.
What is the InChIKey of (3E)-N-ethenyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine?
The InChIKey is HNHCOWKDIRMMRQ-PVHUKWJHSA-N. The full InChI is InChI=1S/C11H15NS/c1-5-12-11-10(6-7-13-11)9(4)8(2)3/h5-8H,1H2,2-4H3/b10-9+,12-11-.
What are the key properties of (3E)-N-ethenyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine?
(3E)-N-ethenyl-3-(3-methylbutan-2-ylidene)thiophen-2-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 (3E)-N-ethenyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine is sourced from PubChem (CID 170593186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).