(2E)-2-ethenyl-N-[(E)-4-formamidohept-4-en-2-yl]penta-2,4-dienamide

C15H22N2O2 — CID 90363033

IUPAC(2E)-2-ethenyl-N-[(E)-4-formamidohept-4-en-2-yl]penta-2,4-dienamide
SMILESC=C/C=C(\C=C)C(=O)NC(C)C/C(=C\CC)NC=O
InChIInChI=1S/C15H22N2O2/c1-5-8-13(7-3)15(19)17-12(4)10-14(9-6-2)16-11-18/h5,7-9,11-12H,1,3,6,10H2,2,4H3,(H,16,18)(H,17,19)/b13-8+,14-9+
InChIKeyGUDIAEKKPVOGGV-UQNWOCKMSA-N
MW262.35 g/mol
LogP2.22
Rot. Bonds9

About (2E)-2-ethenyl-N-[(E)-4-formamidohept-4-en-2-yl]penta-2,4-dienamide

(2E)-2-ethenyl-N-[(E)-4-formamidohept-4-en-2-yl]penta-2,4-dienamide (PubChem CID 90363033) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2E)-2-ethenyl-N-[(E)-4-formamidohept-4-en-2-yl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-2-ethenyl-N-[(E)-4-formamidohept-4-en-2-yl]penta-2,4-dienamide
PubChem CID90363033
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2E)-2-ethenyl-N-[(E)-4-formamidohept-4-en-2-yl]penta-2,4-dienamide
SMILESC=C/C=C(\C=C)C(=O)NC(C)C/C(=C\CC)NC=O
InChIInChI=1S/C15H22N2O2/c1-5-8-13(7-3)15(19)17-12(4)10-14(9-6-2)16-11-18/h5,7-9,11-12H,1,3,6,10H2,2,4H3,(H,16,18)(H,17,19)/b13-8+,14-9+
InChIKeyGUDIAEKKPVOGGV-UQNWOCKMSA-N
XLogP2.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
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)-2-ethenyl-N-[(E)-4-formamidohept-4-en-2-yl]penta-2,4-dienamide?
The IUPAC name of (2E)-2-ethenyl-N-[(E)-4-formamidohept-4-en-2-yl]penta-2,4-dienamide (CID 90363033) is (2E)-2-ethenyl-N-[(E)-4-formamidohept-4-en-2-yl]penta-2,4-dienamide.
What is the SMILES notation for (2E)-2-ethenyl-N-[(E)-4-formamidohept-4-en-2-yl]penta-2,4-dienamide?
The canonical SMILES for (2E)-2-ethenyl-N-[(E)-4-formamidohept-4-en-2-yl]penta-2,4-dienamide is C=C/C=C(\C=C)C(=O)NC(C)C/C(=C\CC)NC=O.
What is the InChIKey of (2E)-2-ethenyl-N-[(E)-4-formamidohept-4-en-2-yl]penta-2,4-dienamide?
The InChIKey is GUDIAEKKPVOGGV-UQNWOCKMSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-8-13(7-3)15(19)17-12(4)10-14(9-6-2)16-11-18/h5,7-9,11-12H,1,3,6,10H2,2,4H3,(H,16,18)(H,17,19)/b13-8+,14-9+.
What are the key properties of (2E)-2-ethenyl-N-[(E)-4-formamidohept-4-en-2-yl]penta-2,4-dienamide?
(2E)-2-ethenyl-N-[(E)-4-formamidohept-4-en-2-yl]penta-2,4-dienamide has a molecular weight of 262.35 g/mol, XLogP of 2.22, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethenyl-N-[(E)-4-formamidohept-4-en-2-yl]penta-2,4-dienamide is sourced from PubChem (CID 90363033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).