(2E)-N-(3-methyl-1-oxopentan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide

C14H21NO2 — CID 143401806

IUPAC(2E)-N-(3-methyl-1-oxopentan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
SMILESC=C/C=C(\C=C/C)C(=O)NC(C=O)C(C)CC
InChIInChI=1S/C14H21NO2/c1-5-8-12(9-6-2)14(17)15-13(10-16)11(4)7-3/h5-6,8-11,13H,1,7H2,2-4H3,(H,15,17)/b9-6-,12-8+
InChIKeyVTBNSKUEVXZNEI-QYPWSSHISA-N
MW235.33 g/mol
LogP2.40
Rot. Bonds7

About (2E)-N-(3-methyl-1-oxopentan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide

(2E)-N-(3-methyl-1-oxopentan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide (PubChem CID 143401806) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2E)-N-(3-methyl-1-oxopentan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-(3-methyl-1-oxopentan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
PubChem CID143401806
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2E)-N-(3-methyl-1-oxopentan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
SMILESC=C/C=C(\C=C/C)C(=O)NC(C=O)C(C)CC
InChIInChI=1S/C14H21NO2/c1-5-8-12(9-6-2)14(17)15-13(10-16)11(4)7-3/h5-6,8-11,13H,1,7H2,2-4H3,(H,15,17)/b9-6-,12-8+
InChIKeyVTBNSKUEVXZNEI-QYPWSSHISA-N
XLogP2.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-(3-methyl-1-oxopentan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The IUPAC name of (2E)-N-(3-methyl-1-oxopentan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide (CID 143401806) is (2E)-N-(3-methyl-1-oxopentan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide.
What is the SMILES notation for (2E)-N-(3-methyl-1-oxopentan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The canonical SMILES for (2E)-N-(3-methyl-1-oxopentan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide is C=C/C=C(\C=C/C)C(=O)NC(C=O)C(C)CC.
What is the InChIKey of (2E)-N-(3-methyl-1-oxopentan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The InChIKey is VTBNSKUEVXZNEI-QYPWSSHISA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-8-12(9-6-2)14(17)15-13(10-16)11(4)7-3/h5-6,8-11,13H,1,7H2,2-4H3,(H,15,17)/b9-6-,12-8+.
What are the key properties of (2E)-N-(3-methyl-1-oxopentan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
(2E)-N-(3-methyl-1-oxopentan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide has a molecular weight of 235.33 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(3-methyl-1-oxopentan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide is sourced from PubChem (CID 143401806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).