2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole

C14H19N3O2 — CID 142378516

IUPAC2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole
SMILESCOC=C(C)OCCn1nc2c(C)ccc(C)c2n1
InChIInChI=1S/C14H19N3O2/c1-10-5-6-11(2)14-13(10)15-17(16-14)7-8-19-12(3)9-18-4/h5-6,9H,7-8H2,1-4H3
InChIKeyXNPJTVHTSDHSBC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.57
Rot. Bonds5

About 2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole

2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole (PubChem CID 142378516) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole.

Molecular Properties

Compound Name2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole
PubChem CID142378516
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole
SMILESCOC=C(C)OCCn1nc2c(C)ccc(C)c2n1
InChIInChI=1S/C14H19N3O2/c1-10-5-6-11(2)14-13(10)15-17(16-14)7-8-19-12(3)9-18-4/h5-6,9H,7-8H2,1-4H3
InChIKeyXNPJTVHTSDHSBC-UHFFFAOYSA-N
XLogP2.57
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole?
The IUPAC name of 2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole (CID 142378516) is 2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole.
What is the SMILES notation for 2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole?
The canonical SMILES for 2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole is COC=C(C)OCCn1nc2c(C)ccc(C)c2n1.
What is the InChIKey of 2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole?
The InChIKey is XNPJTVHTSDHSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-5-6-11(2)14-13(10)15-17(16-14)7-8-19-12(3)9-18-4/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole?
2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole has a molecular weight of 261.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole is sourced from PubChem (CID 142378516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).