(4E,7Z)-4-nitrodeca-4,7-dienoic acid

C10H15NO4 — CID 89285875

IUPAC(4E,7Z)-4-nitrodeca-4,7-dienoic acid
SMILESCC/C=C\C/C=C(\CCC(=O)O)[N+](=O)[O-]
InChIInChI=1S/C10H15NO4/c1-2-3-4-5-6-9(11(14)15)7-8-10(12)13/h3-4,6H,2,5,7-8H2,1H3,(H,12,13)/b4-3-,9-6+
InChIKeyKGCYWTRRAQWZJI-ZNUQQGBJSA-N
MW213.23 g/mol
LogP2.37
Rot. Bonds7

About (4E,7Z)-4-nitrodeca-4,7-dienoic acid

(4E,7Z)-4-nitrodeca-4,7-dienoic acid (PubChem CID 89285875) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is (4E,7Z)-4-nitrodeca-4,7-dienoic acid.

Molecular Properties

Compound Name(4E,7Z)-4-nitrodeca-4,7-dienoic acid
PubChem CID89285875
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(4E,7Z)-4-nitrodeca-4,7-dienoic acid
SMILESCC/C=C\C/C=C(\CCC(=O)O)[N+](=O)[O-]
InChIInChI=1S/C10H15NO4/c1-2-3-4-5-6-9(11(14)15)7-8-10(12)13/h3-4,6H,2,5,7-8H2,1H3,(H,12,13)/b4-3-,9-6+
InChIKeyKGCYWTRRAQWZJI-ZNUQQGBJSA-N
XLogP2.37
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(9E,12Z,15Z)-9-nitrooctadeca-9,12,15-trienal
CID 173492351
4-nitropentadeca-3,6,9,12-tetraenoic acid
CID 123360889
(9E,12E,15Z)-9,12-dinitrooctadeca-9,12,15-trienal
CID 173492206
3-[(9Z,12E,15Z)-9,15-dinitrooctadeca-9,12,15-trienyl]sulfanylpropanoic acid
CID 87276088
(4Z,7Z,10Z,13Z,16E,19Z)-17-nitrodocosa-4,7,10,13,16,19-hexaenal
CID 173492308
(4E,7Z,10E,13E,16E,19E)-7-nitrodocosa-4,7,10,13,16,19-hexaenal
CID 173492310
3-nitrododeca-3,6-dienoic acid
CID 123592248
(9Z,12Z,15E)-15-nitrooctadeca-9,12,15-trienoic acid
CID 90092242
(Z)-4-nitrohex-3-enoic acid
CID 123431582
(9E,12E)-9-nitrooctadeca-9,12-dienal
CID 173492035
(4E,7Z,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652065
(4Z,7E,10Z,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652072

Frequently Asked Questions

What is the IUPAC name of (4E,7Z)-4-nitrodeca-4,7-dienoic acid?
The IUPAC name of (4E,7Z)-4-nitrodeca-4,7-dienoic acid (CID 89285875) is (4E,7Z)-4-nitrodeca-4,7-dienoic acid.
What is the SMILES notation for (4E,7Z)-4-nitrodeca-4,7-dienoic acid?
The canonical SMILES for (4E,7Z)-4-nitrodeca-4,7-dienoic acid is CC/C=C\C/C=C(\CCC(=O)O)[N+](=O)[O-].
What is the InChIKey of (4E,7Z)-4-nitrodeca-4,7-dienoic acid?
The InChIKey is KGCYWTRRAQWZJI-ZNUQQGBJSA-N. The full InChI is InChI=1S/C10H15NO4/c1-2-3-4-5-6-9(11(14)15)7-8-10(12)13/h3-4,6H,2,5,7-8H2,1H3,(H,12,13)/b4-3-,9-6+.
What are the key properties of (4E,7Z)-4-nitrodeca-4,7-dienoic acid?
(4E,7Z)-4-nitrodeca-4,7-dienoic acid has a molecular weight of 213.23 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,7Z)-4-nitrodeca-4,7-dienoic acid is sourced from PubChem (CID 89285875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).