prop-2-enyl (2Z)-2-hydroxyimino-2-(1H-indol-3-yl)acetate

C13H12N2O3 — CID 135762588

IUPACprop-2-enyl (2Z)-2-hydroxyimino-2-(1H-indol-3-yl)acetate
SMILESC=CCOC(=O)/C(=N\O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H12N2O3/c1-2-7-18-13(16)12(15-17)10-8-14-11-6-4-3-5-9(10)11/h2-6,8,14,17H,1,7H2/b15-12-
InChIKeyZUCMEMVDLVMBBJ-QINSGFPZSA-N
MW244.25 g/mol
LogP2.08
Rot. Bonds4

About prop-2-enyl (2Z)-2-hydroxyimino-2-(1H-indol-3-yl)acetate

prop-2-enyl (2Z)-2-hydroxyimino-2-(1H-indol-3-yl)acetate (PubChem CID 135762588) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is prop-2-enyl (2Z)-2-hydroxyimino-2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Nameprop-2-enyl (2Z)-2-hydroxyimino-2-(1H-indol-3-yl)acetate
PubChem CID135762588
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Nameprop-2-enyl (2Z)-2-hydroxyimino-2-(1H-indol-3-yl)acetate
SMILESC=CCOC(=O)/C(=N\O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H12N2O3/c1-2-7-18-13(16)12(15-17)10-8-14-11-6-4-3-5-9(10)11/h2-6,8,14,17H,1,7H2/b15-12-
InChIKeyZUCMEMVDLVMBBJ-QINSGFPZSA-N
XLogP2.08
TPSA74.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl 2-(1H-indol-3-yl)-2-oxoacetate
CID 15093890
1-(1H-indol-3-yl)prop-2-en-1-one
CID 15122794
prop-2-enyl 2-(1H-indol-3-yl)acetate
CID 14701449
N-prop-2-enyl-1H-indole-3-carboxamide
CID 43399249
[(2R)-3-(1H-indol-3-yl)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium
CID 7006688
(3E)-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 135474608
sodium 1H-indole-3-carboxylate
CID 23698293
2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone
CID 147638405
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
methyl 2-(1H-indol-3-yl)prop-2-enoate
CID 116843224
N-oxo-1H-indole-3-carboxamide
CID 88522766
N-ethyl-2-(1H-indol-3-yl)-2-oxo-N-prop-2-enylacetamide
CID 18884826

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2Z)-2-hydroxyimino-2-(1H-indol-3-yl)acetate?
The IUPAC name of prop-2-enyl (2Z)-2-hydroxyimino-2-(1H-indol-3-yl)acetate (CID 135762588) is prop-2-enyl (2Z)-2-hydroxyimino-2-(1H-indol-3-yl)acetate.
What is the SMILES notation for prop-2-enyl (2Z)-2-hydroxyimino-2-(1H-indol-3-yl)acetate?
The canonical SMILES for prop-2-enyl (2Z)-2-hydroxyimino-2-(1H-indol-3-yl)acetate is C=CCOC(=O)/C(=N\O)c1c[nH]c2ccccc12.
What is the InChIKey of prop-2-enyl (2Z)-2-hydroxyimino-2-(1H-indol-3-yl)acetate?
The InChIKey is ZUCMEMVDLVMBBJ-QINSGFPZSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-2-7-18-13(16)12(15-17)10-8-14-11-6-4-3-5-9(10)11/h2-6,8,14,17H,1,7H2/b15-12-.
What are the key properties of prop-2-enyl (2Z)-2-hydroxyimino-2-(1H-indol-3-yl)acetate?
prop-2-enyl (2Z)-2-hydroxyimino-2-(1H-indol-3-yl)acetate has a molecular weight of 244.25 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2Z)-2-hydroxyimino-2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 135762588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).