4-[[(4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxymethyl]-2H-triazole

C11H15N3O — CID 70660075

IUPAC4-[[(4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxymethyl]-2H-triazole
SMILESC1=C[C@@H]2CC1C(COCc1cn[nH]n1)C2
InChIInChI=1S/C11H15N3O/c1-2-9-3-8(1)4-10(9)6-15-7-11-5-12-14-13-11/h1-2,5,8-10H,3-4,6-7H2,(H,12,13,14)/t8-,9?,10?/m1/s1
InChIKeyYYHUTIBCMKSGDH-XNWIYYODSA-N
MW205.26 g/mol
LogP1.53
Rot. Bonds4

About 4-[[(4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxymethyl]-2H-triazole

4-[[(4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxymethyl]-2H-triazole (PubChem CID 70660075) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-[[(4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxymethyl]-2H-triazole.

Molecular Properties

Compound Name4-[[(4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxymethyl]-2H-triazole
PubChem CID70660075
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-[[(4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxymethyl]-2H-triazole
SMILESC1=C[C@@H]2CC1C(COCc1cn[nH]n1)C2
InChIInChI=1S/C11H15N3O/c1-2-9-3-8(1)4-10(9)6-15-7-11-5-12-14-13-11/h1-2,5,8-10H,3-4,6-7H2,(H,12,13,14)/t8-,9?,10?/m1/s1
InChIKeyYYHUTIBCMKSGDH-XNWIYYODSA-N
XLogP1.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
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-[[(4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxymethyl]-2H-triazole?
The IUPAC name of 4-[[(4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxymethyl]-2H-triazole (CID 70660075) is 4-[[(4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxymethyl]-2H-triazole.
What is the SMILES notation for 4-[[(4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxymethyl]-2H-triazole?
The canonical SMILES for 4-[[(4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxymethyl]-2H-triazole is C1=C[C@@H]2CC1C(COCc1cn[nH]n1)C2.
What is the InChIKey of 4-[[(4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxymethyl]-2H-triazole?
The InChIKey is YYHUTIBCMKSGDH-XNWIYYODSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-9-3-8(1)4-10(9)6-15-7-11-5-12-14-13-11/h1-2,5,8-10H,3-4,6-7H2,(H,12,13,14)/t8-,9?,10?/m1/s1.
What are the key properties of 4-[[(4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxymethyl]-2H-triazole?
4-[[(4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxymethyl]-2H-triazole has a molecular weight of 205.26 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxymethyl]-2H-triazole is sourced from PubChem (CID 70660075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).