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

C13H19NO3 — CID 141343517

IUPAC(2E,4E)-N-(1,3-dioxol-4-ylmethyl)nona-2,4-dienamide
SMILESCCCC/C=C/C=C/C(=O)NCC1=COCO1
InChIInChI=1S/C13H19NO3/c1-2-3-4-5-6-7-8-13(15)14-9-12-10-16-11-17-12/h5-8,10H,2-4,9,11H2,1H3,(H,14,15)/b6-5+,8-7+
InChIKeyNSKTWZVDDMLAHO-BSWSSELBSA-N
MW237.30 g/mol
LogP2.25
Rot. Bonds7

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

(2E,4E)-N-(1,3-dioxol-4-ylmethyl)nona-2,4-dienamide (PubChem CID 141343517) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2E,4E)-N-(1,3-dioxol-4-ylmethyl)nona-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(1,3-dioxol-4-ylmethyl)nona-2,4-dienamide
PubChem CID141343517
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(2E,4E)-N-(1,3-dioxol-4-ylmethyl)nona-2,4-dienamide
SMILESCCCC/C=C/C=C/C(=O)NCC1=COCO1
InChIInChI=1S/C13H19NO3/c1-2-3-4-5-6-7-8-13(15)14-9-12-10-16-11-17-12/h5-8,10H,2-4,9,11H2,1H3,(H,14,15)/b6-5+,8-7+
InChIKeyNSKTWZVDDMLAHO-BSWSSELBSA-N
XLogP2.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.25
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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Related Compounds

(2E,4E)-N-(1,3-dioxolan-4-ylmethyl)deca-2,4-dienamide
CID 88991029
(2E,4E)-N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide
CID 88991076
(2E,4E)-N-(1,3-dioxolan-2-ylmethyl)-3-methylnona-2,4-dienamide
CID 88991130
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]nona-2,4-dienamide
CID 123257806
N-(1,3-dioxolan-4-ylmethyl)deca-2,4-dienamide
CID 123337563
N-(1,3-dioxolan-4-ylmethyl)-3-methylnona-2,4-dienamide
CID 123450483
N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide
CID 123557082
N-(1,3-dioxolan-2-ylmethyl)-3-methylnona-2,4-dienamide
CID 123566981
N-(1,3-dioxolan-4-ylmethyl)nona-2,4-dienamide
CID 123611494
(2E,4E)-N-(1,3-dioxol-4-ylmethyl)deca-2,4-dienamide
CID 141343515
(2E,4E)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]nona-2,4-dienamide
CID 144451237
(2E,4E)-N-(1,3-dioxolan-4-ylmethyl)-3-methylnona-2,4-dienamide
CID 144451238

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(1,3-dioxol-4-ylmethyl)nona-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(1,3-dioxol-4-ylmethyl)nona-2,4-dienamide (CID 141343517) is (2E,4E)-N-(1,3-dioxol-4-ylmethyl)nona-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(1,3-dioxol-4-ylmethyl)nona-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(1,3-dioxol-4-ylmethyl)nona-2,4-dienamide is CCCC/C=C/C=C/C(=O)NCC1=COCO1.
What is the InChIKey of (2E,4E)-N-(1,3-dioxol-4-ylmethyl)nona-2,4-dienamide?
The InChIKey is NSKTWZVDDMLAHO-BSWSSELBSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-3-4-5-6-7-8-13(15)14-9-12-10-16-11-17-12/h5-8,10H,2-4,9,11H2,1H3,(H,14,15)/b6-5+,8-7+.
What are the key properties of (2E,4E)-N-(1,3-dioxol-4-ylmethyl)nona-2,4-dienamide?
(2E,4E)-N-(1,3-dioxol-4-ylmethyl)nona-2,4-dienamide has a molecular weight of 237.30 g/mol, XLogP of 2.25, 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-dioxol-4-ylmethyl)nona-2,4-dienamide is sourced from PubChem (CID 141343517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).