(4-propylphenyl)methanediazonium

C10H13N2+ — CID 146683558

IUPAC(4-propylphenyl)methanediazonium
SMILESCCCc1ccc(C[N+]#N)cc1
InChIInChI=1S/C10H13N2/c1-2-3-9-4-6-10(7-5-9)8-12-11/h4-7H,2-3,8H2,1H3/q+1
InChIKeyMKQAKIWXTFXAQU-UHFFFAOYSA-N
MW161.23 g/mol
LogP2.99
Rot. Bonds3

About (4-propylphenyl)methanediazonium

(4-propylphenyl)methanediazonium (PubChem CID 146683558) has the molecular formula C10H13N2+ and a molecular weight of 161.23 g/mol. Its IUPAC name is (4-propylphenyl)methanediazonium.

Molecular Properties

Compound Name(4-propylphenyl)methanediazonium
PubChem CID146683558
Molecular FormulaC10H13N2+
Molecular Weight161.23 g/mol
Exact Mass161.11
IUPAC Name(4-propylphenyl)methanediazonium
SMILESCCCc1ccc(C[N+]#N)cc1
InChIInChI=1S/C10H13N2/c1-2-3-9-4-6-10(7-5-9)8-12-11/h4-7H,2-3,8H2,1H3/q+1
InChIKeyMKQAKIWXTFXAQU-UHFFFAOYSA-N
XLogP2.99
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-propylphenyl)methanediazonium?
The IUPAC name of (4-propylphenyl)methanediazonium (CID 146683558) is (4-propylphenyl)methanediazonium.
What is the SMILES notation for (4-propylphenyl)methanediazonium?
The canonical SMILES for (4-propylphenyl)methanediazonium is CCCc1ccc(C[N+]#N)cc1.
What is the InChIKey of (4-propylphenyl)methanediazonium?
The InChIKey is MKQAKIWXTFXAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2/c1-2-3-9-4-6-10(7-5-9)8-12-11/h4-7H,2-3,8H2,1H3/q+1.
What are the key properties of (4-propylphenyl)methanediazonium?
(4-propylphenyl)methanediazonium has a molecular weight of 161.23 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylphenyl)methanediazonium is sourced from PubChem (CID 146683558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).