azane;dodeca-2,4-dienoic acid

C12H23NO2 — CID 174563549

IUPACazane;dodeca-2,4-dienoic acid
SMILESCCCCCCCC=CC=CC(=O)O.N
InChIInChI=1S/C12H20O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h8-11H,2-7H2,1H3,(H,13,14);1H3
InChIKeyLWUDRZWFTZUBPJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.71
Rot. Bonds8

About azane;dodeca-2,4-dienoic acid

azane;dodeca-2,4-dienoic acid (PubChem CID 174563549) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is azane;dodeca-2,4-dienoic acid.

Molecular Properties

Compound Nameazane;dodeca-2,4-dienoic acid
PubChem CID174563549
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameazane;dodeca-2,4-dienoic acid
SMILESCCCCCCCC=CC=CC(=O)O.N
InChIInChI=1S/C12H20O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h8-11H,2-7H2,1H3,(H,13,14);1H3
InChIKeyLWUDRZWFTZUBPJ-UHFFFAOYSA-N
XLogP3.71
TPSA72.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-icosa-2,4-dienoic acid
CID 11483665
(2E,4E)-tetracosa-2,4-dienoic acid
CID 19784025
(2E,4E)-undeca-2,4-dienoic acid
CID 5312374
triaconta-2,4-dienoic acid
CID 54201076
pentadeca-2,4-dienoic acid
CID 54493784
(2E,4E,6E,8E,10E,12Z)-docosa-2,4,6,8,10,12-hexaenoic acid
CID 122652013
(2E,4E,6E,8E)-henicosa-2,4,6,8-tetraenoic acid
CID 71774758
(2Z,4E)-docosa-2,4,6,8,10-pentaenoic acid
CID 142697366
(2E,4Z,6Z,8E,10Z)-docosa-2,4,6,8,10-pentaenoic acid
CID 122652082
docosa-2,4,6,8-tetraenoic acid
CID 158920983
(2E,4Z,6Z,8E)-hexadeca-2,4,6,8-tetraenoic acid
CID 21158972
nonacosa-2,4,6-trienoic acid
CID 54271388

Frequently Asked Questions

What is the IUPAC name of azane;dodeca-2,4-dienoic acid?
The IUPAC name of azane;dodeca-2,4-dienoic acid (CID 174563549) is azane;dodeca-2,4-dienoic acid.
What is the SMILES notation for azane;dodeca-2,4-dienoic acid?
The canonical SMILES for azane;dodeca-2,4-dienoic acid is CCCCCCCC=CC=CC(=O)O.N.
What is the InChIKey of azane;dodeca-2,4-dienoic acid?
The InChIKey is LWUDRZWFTZUBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h8-11H,2-7H2,1H3,(H,13,14);1H3.
What are the key properties of azane;dodeca-2,4-dienoic acid?
azane;dodeca-2,4-dienoic acid has a molecular weight of 213.32 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;dodeca-2,4-dienoic acid is sourced from PubChem (CID 174563549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).