2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide

C13H23NO — CID 21366379

IUPAC2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide
SMILESC=CCCC(CC(=C)C)C(=O)NC(C)C
InChIInChI=1S/C13H23NO/c1-6-7-8-12(9-10(2)3)13(15)14-11(4)5/h6,11-12H,1-2,7-9H2,3-5H3,(H,14,15)
InChIKeyNRAKPZQNOLCAME-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.06
Rot. Bonds7

About 2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide

2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide (PubChem CID 21366379) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide
PubChem CID21366379
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide
SMILESC=CCCC(CC(=C)C)C(=O)NC(C)C
InChIInChI=1S/C13H23NO/c1-6-7-8-12(9-10(2)3)13(15)14-11(4)5/h6,11-12H,1-2,7-9H2,3-5H3,(H,14,15)
InChIKeyNRAKPZQNOLCAME-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide?
The IUPAC name of 2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide (CID 21366379) is 2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide?
The canonical SMILES for 2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide is C=CCCC(CC(=C)C)C(=O)NC(C)C.
What is the InChIKey of 2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide?
The InChIKey is NRAKPZQNOLCAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-6-7-8-12(9-10(2)3)13(15)14-11(4)5/h6,11-12H,1-2,7-9H2,3-5H3,(H,14,15).
What are the key properties of 2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide?
2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide has a molecular weight of 209.33 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide is sourced from PubChem (CID 21366379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).