(Z)-2-hydroxy-3-(1-methylcyclohex-2-en-1-yl)prop-1-ene-1-diazonium

C10H15N2O+ — CID 10921080

IUPAC(Z)-2-hydroxy-3-(1-methylcyclohex-2-en-1-yl)prop-1-ene-1-diazonium
SMILESCC1(C/C(O)=C/[N+]#N)C=CCCC1
InChIInChI=1S/C10H14N2O/c1-10(5-3-2-4-6-10)7-9(13)8-12-11/h3,5,8H,2,4,6-7H2,1H3/p+1/b9-8-
InChIKeyXLMGWKMEPZDKQC-HJWRWDBZSA-O
MW179.24 g/mol
LogP3.38
Rot. Bonds2

About (Z)-2-hydroxy-3-(1-methylcyclohex-2-en-1-yl)prop-1-ene-1-diazonium

(Z)-2-hydroxy-3-(1-methylcyclohex-2-en-1-yl)prop-1-ene-1-diazonium (PubChem CID 10921080) has the molecular formula C10H15N2O+ and a molecular weight of 179.24 g/mol. Its IUPAC name is (Z)-2-hydroxy-3-(1-methylcyclohex-2-en-1-yl)prop-1-ene-1-diazonium.

Molecular Properties

Compound Name(Z)-2-hydroxy-3-(1-methylcyclohex-2-en-1-yl)prop-1-ene-1-diazonium
PubChem CID10921080
Molecular FormulaC10H15N2O+
Molecular Weight179.24 g/mol
Exact Mass179.12
IUPAC Name(Z)-2-hydroxy-3-(1-methylcyclohex-2-en-1-yl)prop-1-ene-1-diazonium
SMILESCC1(C/C(O)=C/[N+]#N)C=CCCC1
InChIInChI=1S/C10H14N2O/c1-10(5-3-2-4-6-10)7-9(13)8-12-11/h3,5,8H,2,4,6-7H2,1H3/p+1/b9-8-
InChIKeyXLMGWKMEPZDKQC-HJWRWDBZSA-O
XLogP3.38
TPSA48.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.38
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 (Z)-2-hydroxy-3-(1-methylcyclohex-2-en-1-yl)prop-1-ene-1-diazonium?
The IUPAC name of (Z)-2-hydroxy-3-(1-methylcyclohex-2-en-1-yl)prop-1-ene-1-diazonium (CID 10921080) is (Z)-2-hydroxy-3-(1-methylcyclohex-2-en-1-yl)prop-1-ene-1-diazonium.
What is the SMILES notation for (Z)-2-hydroxy-3-(1-methylcyclohex-2-en-1-yl)prop-1-ene-1-diazonium?
The canonical SMILES for (Z)-2-hydroxy-3-(1-methylcyclohex-2-en-1-yl)prop-1-ene-1-diazonium is CC1(C/C(O)=C/[N+]#N)C=CCCC1.
What is the InChIKey of (Z)-2-hydroxy-3-(1-methylcyclohex-2-en-1-yl)prop-1-ene-1-diazonium?
The InChIKey is XLMGWKMEPZDKQC-HJWRWDBZSA-O. The full InChI is InChI=1S/C10H14N2O/c1-10(5-3-2-4-6-10)7-9(13)8-12-11/h3,5,8H,2,4,6-7H2,1H3/p+1/b9-8-.
What are the key properties of (Z)-2-hydroxy-3-(1-methylcyclohex-2-en-1-yl)prop-1-ene-1-diazonium?
(Z)-2-hydroxy-3-(1-methylcyclohex-2-en-1-yl)prop-1-ene-1-diazonium has a molecular weight of 179.24 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-3-(1-methylcyclohex-2-en-1-yl)prop-1-ene-1-diazonium is sourced from PubChem (CID 10921080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).