ethyl 3-(cyclohexen-1-ylmethoxy)indazole-1-carboxylate

C17H20N2O3 — CID 19805527

IUPACethyl 3-(cyclohexen-1-ylmethoxy)indazole-1-carboxylate
SMILESCCOC(=O)n1nc(OCC2=CCCCC2)c2ccccc21
InChIInChI=1S/C17H20N2O3/c1-2-21-17(20)19-15-11-7-6-10-14(15)16(18-19)22-12-13-8-4-3-5-9-13/h6-8,10-11H,2-5,9,12H2,1H3
InChIKeyUFWSEWHIMJEFGM-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.92
Rot. Bonds4

About ethyl 3-(cyclohexen-1-ylmethoxy)indazole-1-carboxylate

ethyl 3-(cyclohexen-1-ylmethoxy)indazole-1-carboxylate (PubChem CID 19805527) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is ethyl 3-(cyclohexen-1-ylmethoxy)indazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(cyclohexen-1-ylmethoxy)indazole-1-carboxylate
PubChem CID19805527
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Nameethyl 3-(cyclohexen-1-ylmethoxy)indazole-1-carboxylate
SMILESCCOC(=O)n1nc(OCC2=CCCCC2)c2ccccc21
InChIInChI=1S/C17H20N2O3/c1-2-21-17(20)19-15-11-7-6-10-14(15)16(18-19)22-12-13-8-4-3-5-9-13/h6-8,10-11H,2-5,9,12H2,1H3
InChIKeyUFWSEWHIMJEFGM-UHFFFAOYSA-N
XLogP3.92
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 ethyl 3-(cyclohexen-1-ylmethoxy)indazole-1-carboxylate?
The IUPAC name of ethyl 3-(cyclohexen-1-ylmethoxy)indazole-1-carboxylate (CID 19805527) is ethyl 3-(cyclohexen-1-ylmethoxy)indazole-1-carboxylate.
What is the SMILES notation for ethyl 3-(cyclohexen-1-ylmethoxy)indazole-1-carboxylate?
The canonical SMILES for ethyl 3-(cyclohexen-1-ylmethoxy)indazole-1-carboxylate is CCOC(=O)n1nc(OCC2=CCCCC2)c2ccccc21.
What is the InChIKey of ethyl 3-(cyclohexen-1-ylmethoxy)indazole-1-carboxylate?
The InChIKey is UFWSEWHIMJEFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-21-17(20)19-15-11-7-6-10-14(15)16(18-19)22-12-13-8-4-3-5-9-13/h6-8,10-11H,2-5,9,12H2,1H3.
What are the key properties of ethyl 3-(cyclohexen-1-ylmethoxy)indazole-1-carboxylate?
ethyl 3-(cyclohexen-1-ylmethoxy)indazole-1-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclohexen-1-ylmethoxy)indazole-1-carboxylate is sourced from PubChem (CID 19805527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).