4-(cyclohexen-1-yl)-1-prop-2-enyltriazole

C11H15N3 — CID 11344491

IUPAC4-(cyclohexen-1-yl)-1-prop-2-enyltriazole
SMILESC=CCn1cc(C2=CCCCC2)nn1
InChIInChI=1S/C11H15N3/c1-2-8-14-9-11(12-13-14)10-6-4-3-5-7-10/h2,6,9H,1,3-5,7-8H2
InChIKeyWCWDTEAIYOPHAO-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.42
Rot. Bonds3

About 4-(cyclohexen-1-yl)-1-prop-2-enyltriazole

4-(cyclohexen-1-yl)-1-prop-2-enyltriazole (PubChem CID 11344491) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-1-prop-2-enyltriazole.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-1-prop-2-enyltriazole
PubChem CID11344491
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name4-(cyclohexen-1-yl)-1-prop-2-enyltriazole
SMILESC=CCn1cc(C2=CCCCC2)nn1
InChIInChI=1S/C11H15N3/c1-2-8-14-9-11(12-13-14)10-6-4-3-5-7-10/h2,6,9H,1,3-5,7-8H2
InChIKeyWCWDTEAIYOPHAO-UHFFFAOYSA-N
XLogP2.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-1-prop-2-enyltriazole?
The IUPAC name of 4-(cyclohexen-1-yl)-1-prop-2-enyltriazole (CID 11344491) is 4-(cyclohexen-1-yl)-1-prop-2-enyltriazole.
What is the SMILES notation for 4-(cyclohexen-1-yl)-1-prop-2-enyltriazole?
The canonical SMILES for 4-(cyclohexen-1-yl)-1-prop-2-enyltriazole is C=CCn1cc(C2=CCCCC2)nn1.
What is the InChIKey of 4-(cyclohexen-1-yl)-1-prop-2-enyltriazole?
The InChIKey is WCWDTEAIYOPHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-8-14-9-11(12-13-14)10-6-4-3-5-7-10/h2,6,9H,1,3-5,7-8H2.
What are the key properties of 4-(cyclohexen-1-yl)-1-prop-2-enyltriazole?
4-(cyclohexen-1-yl)-1-prop-2-enyltriazole has a molecular weight of 189.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-1-prop-2-enyltriazole is sourced from PubChem (CID 11344491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).