(E)-2-methyl-3-[4-(4-methylidenecyclohexyl)thiophen-2-yl]prop-2-enamide

C15H19NOS — CID 127032710

IUPAC(E)-2-methyl-3-[4-(4-methylidenecyclohexyl)thiophen-2-yl]prop-2-enamide
SMILESC=C1CCC(c2csc(/C=C(\C)C(N)=O)c2)CC1
InChIInChI=1S/C15H19NOS/c1-10-3-5-12(6-4-10)13-8-14(18-9-13)7-11(2)15(16)17/h7-9,12H,1,3-6H2,2H3,(H2,16,17)/b11-7+
InChIKeySLMKWHRGIJWTJI-YRNVUSSQSA-N
MW261.39 g/mol
LogP3.85
Rot. Bonds3

About (E)-2-methyl-3-[4-(4-methylidenecyclohexyl)thiophen-2-yl]prop-2-enamide

(E)-2-methyl-3-[4-(4-methylidenecyclohexyl)thiophen-2-yl]prop-2-enamide (PubChem CID 127032710) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is (E)-2-methyl-3-[4-(4-methylidenecyclohexyl)thiophen-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-3-[4-(4-methylidenecyclohexyl)thiophen-2-yl]prop-2-enamide
PubChem CID127032710
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name(E)-2-methyl-3-[4-(4-methylidenecyclohexyl)thiophen-2-yl]prop-2-enamide
SMILESC=C1CCC(c2csc(/C=C(\C)C(N)=O)c2)CC1
InChIInChI=1S/C15H19NOS/c1-10-3-5-12(6-4-10)13-8-14(18-9-13)7-11(2)15(16)17/h7-9,12H,1,3-6H2,2H3,(H2,16,17)/b11-7+
InChIKeySLMKWHRGIJWTJI-YRNVUSSQSA-N
XLogP3.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-[4-(4-methylidenecyclohexyl)thiophen-2-yl]prop-2-enamide?
The IUPAC name of (E)-2-methyl-3-[4-(4-methylidenecyclohexyl)thiophen-2-yl]prop-2-enamide (CID 127032710) is (E)-2-methyl-3-[4-(4-methylidenecyclohexyl)thiophen-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-2-methyl-3-[4-(4-methylidenecyclohexyl)thiophen-2-yl]prop-2-enamide?
The canonical SMILES for (E)-2-methyl-3-[4-(4-methylidenecyclohexyl)thiophen-2-yl]prop-2-enamide is C=C1CCC(c2csc(/C=C(\C)C(N)=O)c2)CC1.
What is the InChIKey of (E)-2-methyl-3-[4-(4-methylidenecyclohexyl)thiophen-2-yl]prop-2-enamide?
The InChIKey is SLMKWHRGIJWTJI-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H19NOS/c1-10-3-5-12(6-4-10)13-8-14(18-9-13)7-11(2)15(16)17/h7-9,12H,1,3-6H2,2H3,(H2,16,17)/b11-7+.
What are the key properties of (E)-2-methyl-3-[4-(4-methylidenecyclohexyl)thiophen-2-yl]prop-2-enamide?
(E)-2-methyl-3-[4-(4-methylidenecyclohexyl)thiophen-2-yl]prop-2-enamide has a molecular weight of 261.39 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-[4-(4-methylidenecyclohexyl)thiophen-2-yl]prop-2-enamide is sourced from PubChem (CID 127032710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).