(E)-N-(2-methylpropyl)-3-thiophen-2-ylprop-2-enamide

C11H15NOS — CID 896779

IUPAC(E)-N-(2-methylpropyl)-3-thiophen-2-ylprop-2-enamide
SMILESCC(C)CNC(=O)/C=C/c1cccs1
InChIInChI=1S/C11H15NOS/c1-9(2)8-12-11(13)6-5-10-4-3-7-14-10/h3-7,9H,8H2,1-2H3,(H,12,13)/b6-5+
InChIKeyXYMQNLHPNUPZEP-AATRIKPKSA-N
MW209.31 g/mol
LogP2.53
Rot. Bonds4

About (E)-N-(2-methylpropyl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(2-methylpropyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 896779) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is (E)-N-(2-methylpropyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methylpropyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID896779
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name(E)-N-(2-methylpropyl)-3-thiophen-2-ylprop-2-enamide
SMILESCC(C)CNC(=O)/C=C/c1cccs1
InChIInChI=1S/C11H15NOS/c1-9(2)8-12-11(13)6-5-10-4-3-7-14-10/h3-7,9H,8H2,1-2H3,(H,12,13)/b6-5+
InChIKeyXYMQNLHPNUPZEP-AATRIKPKSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methylpropyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-methylpropyl)-3-thiophen-2-ylprop-2-enamide (CID 896779) is (E)-N-(2-methylpropyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-methylpropyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-methylpropyl)-3-thiophen-2-ylprop-2-enamide is CC(C)CNC(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-(2-methylpropyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is XYMQNLHPNUPZEP-AATRIKPKSA-N. The full InChI is InChI=1S/C11H15NOS/c1-9(2)8-12-11(13)6-5-10-4-3-7-14-10/h3-7,9H,8H2,1-2H3,(H,12,13)/b6-5+.
What are the key properties of (E)-N-(2-methylpropyl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(2-methylpropyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 209.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylpropyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 896779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).