1-[(Z)-1-(benzotriazol-1-yl)-2-methoxyethenyl]cyclopentan-1-ol

C14H17N3O2 — CID 26792996

IUPAC1-[(Z)-1-(benzotriazol-1-yl)-2-methoxyethenyl]cyclopentan-1-ol
SMILESCO/C=C(\n1nnc2ccccc21)C1(O)CCCC1
InChIInChI=1S/C14H17N3O2/c1-19-10-13(14(18)8-4-5-9-14)17-12-7-3-2-6-11(12)15-16-17/h2-3,6-7,10,18H,4-5,8-9H2,1H3/b13-10-
InChIKeyJYRWRJHLESLMSQ-RAXLEYEMSA-N
MW259.31 g/mol
LogP2.18
Rot. Bonds3

About 1-[(Z)-1-(benzotriazol-1-yl)-2-methoxyethenyl]cyclopentan-1-ol

1-[(Z)-1-(benzotriazol-1-yl)-2-methoxyethenyl]cyclopentan-1-ol (PubChem CID 26792996) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[(Z)-1-(benzotriazol-1-yl)-2-methoxyethenyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(Z)-1-(benzotriazol-1-yl)-2-methoxyethenyl]cyclopentan-1-ol
PubChem CID26792996
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-[(Z)-1-(benzotriazol-1-yl)-2-methoxyethenyl]cyclopentan-1-ol
SMILESCO/C=C(\n1nnc2ccccc21)C1(O)CCCC1
InChIInChI=1S/C14H17N3O2/c1-19-10-13(14(18)8-4-5-9-14)17-12-7-3-2-6-11(12)15-16-17/h2-3,6-7,10,18H,4-5,8-9H2,1H3/b13-10-
InChIKeyJYRWRJHLESLMSQ-RAXLEYEMSA-N
XLogP2.18
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
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 1-[(Z)-1-(benzotriazol-1-yl)-2-methoxyethenyl]cyclopentan-1-ol?
The IUPAC name of 1-[(Z)-1-(benzotriazol-1-yl)-2-methoxyethenyl]cyclopentan-1-ol (CID 26792996) is 1-[(Z)-1-(benzotriazol-1-yl)-2-methoxyethenyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(Z)-1-(benzotriazol-1-yl)-2-methoxyethenyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(Z)-1-(benzotriazol-1-yl)-2-methoxyethenyl]cyclopentan-1-ol is CO/C=C(\n1nnc2ccccc21)C1(O)CCCC1.
What is the InChIKey of 1-[(Z)-1-(benzotriazol-1-yl)-2-methoxyethenyl]cyclopentan-1-ol?
The InChIKey is JYRWRJHLESLMSQ-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-10-13(14(18)8-4-5-9-14)17-12-7-3-2-6-11(12)15-16-17/h2-3,6-7,10,18H,4-5,8-9H2,1H3/b13-10-.
What are the key properties of 1-[(Z)-1-(benzotriazol-1-yl)-2-methoxyethenyl]cyclopentan-1-ol?
1-[(Z)-1-(benzotriazol-1-yl)-2-methoxyethenyl]cyclopentan-1-ol has a molecular weight of 259.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-(benzotriazol-1-yl)-2-methoxyethenyl]cyclopentan-1-ol is sourced from PubChem (CID 26792996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).