(2E)-N-(2-methylpropyl)penta-2,4-dienamide

C9H15NO — CID 131248595

IUPAC(2E)-N-(2-methylpropyl)penta-2,4-dienamide
SMILESC=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C9H15NO/c1-4-5-6-9(11)10-7-8(2)3/h4-6,8H,1,7H2,2-3H3,(H,10,11)/b6-5+
InChIKeyKVTVYORXOGVERN-AATRIKPKSA-N
MW153.22 g/mol
LogP1.50
Rot. Bonds4

About (2E)-N-(2-methylpropyl)penta-2,4-dienamide

(2E)-N-(2-methylpropyl)penta-2,4-dienamide (PubChem CID 131248595) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2E)-N-(2-methylpropyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-(2-methylpropyl)penta-2,4-dienamide
PubChem CID131248595
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2E)-N-(2-methylpropyl)penta-2,4-dienamide
SMILESC=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C9H15NO/c1-4-5-6-9(11)10-7-8(2)3/h4-6,8H,1,7H2,2-3H3,(H,10,11)/b6-5+
InChIKeyKVTVYORXOGVERN-AATRIKPKSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2-methylpropyl)penta-2,4-dienamide?
The IUPAC name of (2E)-N-(2-methylpropyl)penta-2,4-dienamide (CID 131248595) is (2E)-N-(2-methylpropyl)penta-2,4-dienamide.
What is the SMILES notation for (2E)-N-(2-methylpropyl)penta-2,4-dienamide?
The canonical SMILES for (2E)-N-(2-methylpropyl)penta-2,4-dienamide is C=C/C=C/C(=O)NCC(C)C.
What is the InChIKey of (2E)-N-(2-methylpropyl)penta-2,4-dienamide?
The InChIKey is KVTVYORXOGVERN-AATRIKPKSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-5-6-9(11)10-7-8(2)3/h4-6,8H,1,7H2,2-3H3,(H,10,11)/b6-5+.
What are the key properties of (2E)-N-(2-methylpropyl)penta-2,4-dienamide?
(2E)-N-(2-methylpropyl)penta-2,4-dienamide has a molecular weight of 153.22 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2-methylpropyl)penta-2,4-dienamide is sourced from PubChem (CID 131248595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).