(4Z,6Z)-7-methyl-3-nitronona-1,4,6-triene

C10H15NO2 — CID 165001579

IUPAC(4Z,6Z)-7-methyl-3-nitronona-1,4,6-triene
SMILESC=CC(/C=C\C=C(\C)CC)[N+](=O)[O-]
InChIInChI=1S/C10H15NO2/c1-4-9(3)7-6-8-10(5-2)11(12)13/h5-8,10H,2,4H2,1,3H3/b8-6-,9-7-
InChIKeyIICWYYUJZCUYQY-VRHVFUOLSA-N
MW181.23 g/mol
LogP2.73
Rot. Bonds5

About (4Z,6Z)-7-methyl-3-nitronona-1,4,6-triene

(4Z,6Z)-7-methyl-3-nitronona-1,4,6-triene (PubChem CID 165001579) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (4Z,6Z)-7-methyl-3-nitronona-1,4,6-triene.

Molecular Properties

Compound Name(4Z,6Z)-7-methyl-3-nitronona-1,4,6-triene
PubChem CID165001579
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(4Z,6Z)-7-methyl-3-nitronona-1,4,6-triene
SMILESC=CC(/C=C\C=C(\C)CC)[N+](=O)[O-]
InChIInChI=1S/C10H15NO2/c1-4-9(3)7-6-8-10(5-2)11(12)13/h5-8,10H,2,4H2,1,3H3/b8-6-,9-7-
InChIKeyIICWYYUJZCUYQY-VRHVFUOLSA-N
XLogP2.73
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(4E,6Z)-3-ethenyl-N,7-dimethylnona-4,6-dienamide
CID 174026900
2-ethyl-6-methylocta-3,5-dien-1-ol
CID 88809517
(3E)-3-methyl-7-methylsulfanylnona-3,5-diene
CID 142123449
3,7-dimethyldeca-1,4,6-triene
CID 123725882
7-methylnona-4,6-dien-3-one
CID 90846612
(5E)-2,6-dimethylocta-3,5-dien-2-ol
CID 6436463
(1Z,3E)-N,4-dimethyl-N-prop-1-en-2-ylhexa-1,3-dien-1-amine
CID 143332145
1-nitroprop-2-enyl acetate
CID 54465399
2,5-dimethylhepta-2,4-diene
CID 54097255
(3E,5E)-2,6-dimethylocta-1,3,5-triene-1,1-diol
CID 19107719
butane;(4Z)-3,7-dimethylocta-1,4,6-triene;ethane
CID 143356307
3-ethyl-7-methylundeca-4,6-diene
CID 123921813

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-7-methyl-3-nitronona-1,4,6-triene?
The IUPAC name of (4Z,6Z)-7-methyl-3-nitronona-1,4,6-triene (CID 165001579) is (4Z,6Z)-7-methyl-3-nitronona-1,4,6-triene.
What is the SMILES notation for (4Z,6Z)-7-methyl-3-nitronona-1,4,6-triene?
The canonical SMILES for (4Z,6Z)-7-methyl-3-nitronona-1,4,6-triene is C=CC(/C=C\C=C(\C)CC)[N+](=O)[O-].
What is the InChIKey of (4Z,6Z)-7-methyl-3-nitronona-1,4,6-triene?
The InChIKey is IICWYYUJZCUYQY-VRHVFUOLSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-9(3)7-6-8-10(5-2)11(12)13/h5-8,10H,2,4H2,1,3H3/b8-6-,9-7-.
What are the key properties of (4Z,6Z)-7-methyl-3-nitronona-1,4,6-triene?
(4Z,6Z)-7-methyl-3-nitronona-1,4,6-triene has a molecular weight of 181.23 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-7-methyl-3-nitronona-1,4,6-triene is sourced from PubChem (CID 165001579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).