ethyl (E)-3-indazol-1-ylprop-2-enoate

C12H12N2O2 — CID 56957510

IUPACethyl (E)-3-indazol-1-ylprop-2-enoate
SMILESCCOC(=O)/C=C/n1ncc2ccccc21
InChIInChI=1S/C12H12N2O2/c1-2-16-12(15)7-8-14-11-6-4-3-5-10(11)9-13-14/h3-9H,2H2,1H3/b8-7+
InChIKeyNZXKMGVFYGNTAG-BQYQJAHWSA-N
MW216.24 g/mol
LogP2.07
Rot. Bonds3

About ethyl (E)-3-indazol-1-ylprop-2-enoate

ethyl (E)-3-indazol-1-ylprop-2-enoate (PubChem CID 56957510) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is ethyl (E)-3-indazol-1-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-indazol-1-ylprop-2-enoate
PubChem CID56957510
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Nameethyl (E)-3-indazol-1-ylprop-2-enoate
SMILESCCOC(=O)/C=C/n1ncc2ccccc21
InChIInChI=1S/C12H12N2O2/c1-2-16-12(15)7-8-14-11-6-4-3-5-10(11)9-13-14/h3-9H,2H2,1H3/b8-7+
InChIKeyNZXKMGVFYGNTAG-BQYQJAHWSA-N
XLogP2.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-pyrazolo[1,5-a]pyridin-3-ylprop-2-enoate
CID 165477367
diethyl 2-(indazol-1-yliminomethyl)propanedioate
CID 57218066
ethyl (E)-4-(2-methylindol-1-yl)but-2-enoate
CID 80546121
ethyl (Z)-3-(4-methyl-2-oxoquinolin-1-yl)prop-2-enoate
CID 54601867
ethyl (E)-3-isoquinolin-3-ylprop-2-enoate
CID 67289613
propyl indazole-1-carboxylate
CID 71095858
[(E)-3-ethoxy-3-oxoprop-1-enyl]-triphenylphosphanium
CID 59950522
ethyl (E)-3-(2-phenylimidazol-1-yl)prop-2-enoate
CID 44593723
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
ethyl 2-indazol-1-ylpyridine-3-carboxylate
CID 66720157
ethyl (E)-4-(2-oxoquinoxalin-1-yl)but-2-enoate
CID 80546059
ethyl (Z)-3-diphenylphosphanylprop-2-enoate
CID 10826890

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-indazol-1-ylprop-2-enoate?
The IUPAC name of ethyl (E)-3-indazol-1-ylprop-2-enoate (CID 56957510) is ethyl (E)-3-indazol-1-ylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-indazol-1-ylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-indazol-1-ylprop-2-enoate is CCOC(=O)/C=C/n1ncc2ccccc21.
What is the InChIKey of ethyl (E)-3-indazol-1-ylprop-2-enoate?
The InChIKey is NZXKMGVFYGNTAG-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-16-12(15)7-8-14-11-6-4-3-5-10(11)9-13-14/h3-9H,2H2,1H3/b8-7+.
What are the key properties of ethyl (E)-3-indazol-1-ylprop-2-enoate?
ethyl (E)-3-indazol-1-ylprop-2-enoate has a molecular weight of 216.24 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-indazol-1-ylprop-2-enoate is sourced from PubChem (CID 56957510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).