(2E,4E)-N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide

C13H21NO3 — CID 88991076

IUPAC(2E,4E)-N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide
SMILESCCCC/C=C/C=C/C(=O)NCC1OCCO1
InChIInChI=1S/C13H21NO3/c1-2-3-4-5-6-7-8-12(15)14-11-13-16-9-10-17-13/h5-8,13H,2-4,9-11H2,1H3,(H,14,15)/b6-5+,8-7+
InChIKeyPVOUUEQGDFJCST-BSWSSELBSA-N
MW239.31 g/mol
LogP1.78
Rot. Bonds7

About (2E,4E)-N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide

(2E,4E)-N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide (PubChem CID 88991076) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is (2E,4E)-N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide
PubChem CID88991076
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(2E,4E)-N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide
SMILESCCCC/C=C/C=C/C(=O)NCC1OCCO1
InChIInChI=1S/C13H21NO3/c1-2-3-4-5-6-7-8-12(15)14-11-13-16-9-10-17-13/h5-8,13H,2-4,9-11H2,1H3,(H,14,15)/b6-5+,8-7+
InChIKeyPVOUUEQGDFJCST-BSWSSELBSA-N
XLogP1.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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,4E)-N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide (CID 88991076) is (2E,4E)-N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide is CCCC/C=C/C=C/C(=O)NCC1OCCO1.
What is the InChIKey of (2E,4E)-N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide?
The InChIKey is PVOUUEQGDFJCST-BSWSSELBSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-3-4-5-6-7-8-12(15)14-11-13-16-9-10-17-13/h5-8,13H,2-4,9-11H2,1H3,(H,14,15)/b6-5+,8-7+.
What are the key properties of (2E,4E)-N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide?
(2E,4E)-N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide has a molecular weight of 239.31 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide is sourced from PubChem (CID 88991076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).