(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine

C10H13NS — CID 87310153

IUPAC(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine
SMILES[H]/N=C\C=c1\scc\c1=C\C(C)C
InChIInChI=1S/C10H13NS/c1-8(2)7-9-4-6-12-10(9)3-5-11/h3-8,11H,1-2H3/b9-7-,10-3+,11-5-
InChIKeyFYUXPNLEBOVVMJ-IDZHFGPCSA-N
MW179.29 g/mol
LogP1.61
Rot. Bonds2

About (2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine

(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine (PubChem CID 87310153) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is (2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine.

Molecular Properties

Compound Name(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine
PubChem CID87310153
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine
SMILES[H]/N=C\C=c1\scc\c1=C\C(C)C
InChIInChI=1S/C10H13NS/c1-8(2)7-9-4-6-12-10(9)3-5-11/h3-8,11H,1-2H3/b9-7-,10-3+,11-5-
InChIKeyFYUXPNLEBOVVMJ-IDZHFGPCSA-N
XLogP1.61
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine?
The IUPAC name of (2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine (CID 87310153) is (2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine.
What is the SMILES notation for (2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine?
The canonical SMILES for (2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine is [H]/N=C\C=c1\scc\c1=C\C(C)C.
What is the InChIKey of (2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine?
The InChIKey is FYUXPNLEBOVVMJ-IDZHFGPCSA-N. The full InChI is InChI=1S/C10H13NS/c1-8(2)7-9-4-6-12-10(9)3-5-11/h3-8,11H,1-2H3/b9-7-,10-3+,11-5-.
What are the key properties of (2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine?
(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine has a molecular weight of 179.29 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine is sourced from PubChem (CID 87310153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).