(1Z)-2-hydroxy-3,4-dimethylpenta-1,4-diene-1-diazonium

C7H11N2O+ — CID 11815420

IUPAC(1Z)-2-hydroxy-3,4-dimethylpenta-1,4-diene-1-diazonium
SMILESC=C(C)C(C)/C(O)=C/[N+]#N
InChIInChI=1S/C7H10N2O/c1-5(2)6(3)7(10)4-9-8/h4,6H,1H2,2-3H3/p+1/b7-4-
InChIKeyANOKLQWYCVTRKO-DAXSKMNVSA-O
MW139.18 g/mol
LogP2.45
Rot. Bonds2

About (1Z)-2-hydroxy-3,4-dimethylpenta-1,4-diene-1-diazonium

(1Z)-2-hydroxy-3,4-dimethylpenta-1,4-diene-1-diazonium (PubChem CID 11815420) has the molecular formula C7H11N2O+ and a molecular weight of 139.18 g/mol. Its IUPAC name is (1Z)-2-hydroxy-3,4-dimethylpenta-1,4-diene-1-diazonium.

Molecular Properties

Compound Name(1Z)-2-hydroxy-3,4-dimethylpenta-1,4-diene-1-diazonium
PubChem CID11815420
Molecular FormulaC7H11N2O+
Molecular Weight139.18 g/mol
Exact Mass139.09
IUPAC Name(1Z)-2-hydroxy-3,4-dimethylpenta-1,4-diene-1-diazonium
SMILESC=C(C)C(C)/C(O)=C/[N+]#N
InChIInChI=1S/C7H10N2O/c1-5(2)6(3)7(10)4-9-8/h4,6H,1H2,2-3H3/p+1/b7-4-
InChIKeyANOKLQWYCVTRKO-DAXSKMNVSA-O
XLogP2.45
TPSA48.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-2-hydroxy-3,4-dimethylpenta-1,4-diene-1-diazonium?
The IUPAC name of (1Z)-2-hydroxy-3,4-dimethylpenta-1,4-diene-1-diazonium (CID 11815420) is (1Z)-2-hydroxy-3,4-dimethylpenta-1,4-diene-1-diazonium.
What is the SMILES notation for (1Z)-2-hydroxy-3,4-dimethylpenta-1,4-diene-1-diazonium?
The canonical SMILES for (1Z)-2-hydroxy-3,4-dimethylpenta-1,4-diene-1-diazonium is C=C(C)C(C)/C(O)=C/[N+]#N.
What is the InChIKey of (1Z)-2-hydroxy-3,4-dimethylpenta-1,4-diene-1-diazonium?
The InChIKey is ANOKLQWYCVTRKO-DAXSKMNVSA-O. The full InChI is InChI=1S/C7H10N2O/c1-5(2)6(3)7(10)4-9-8/h4,6H,1H2,2-3H3/p+1/b7-4-.
What are the key properties of (1Z)-2-hydroxy-3,4-dimethylpenta-1,4-diene-1-diazonium?
(1Z)-2-hydroxy-3,4-dimethylpenta-1,4-diene-1-diazonium has a molecular weight of 139.18 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-hydroxy-3,4-dimethylpenta-1,4-diene-1-diazonium is sourced from PubChem (CID 11815420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).