(2Z)-2-indol-3-ylideneacetate

C10H6NO2- — CID 154586201

IUPAC(2Z)-2-indol-3-ylideneacetate
SMILESO=C([O-])/C=C1\C=Nc2ccccc21
InChIInChI=1S/C10H7NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-6H,(H,12,13)/p-1/b7-5+
InChIKeyZNWKELRZJMEGNL-FNORWQNLSA-M
MW172.16 g/mol
LogP0.54
Rot. Bonds1

About (2Z)-2-indol-3-ylideneacetate

(2Z)-2-indol-3-ylideneacetate (PubChem CID 154586201) has the molecular formula C10H6NO2- and a molecular weight of 172.16 g/mol. Its IUPAC name is (2Z)-2-indol-3-ylideneacetate.

Molecular Properties

Compound Name(2Z)-2-indol-3-ylideneacetate
PubChem CID154586201
Molecular FormulaC10H6NO2-
Molecular Weight172.16 g/mol
Exact Mass172.04
IUPAC Name(2Z)-2-indol-3-ylideneacetate
SMILESO=C([O-])/C=C1\C=Nc2ccccc21
InChIInChI=1S/C10H7NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-6H,(H,12,13)/p-1/b7-5+
InChIKeyZNWKELRZJMEGNL-FNORWQNLSA-M
XLogP0.54
TPSA52.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 171374849
CID 171374849
N-(indol-3-ylidenemethyl)pyridine-4-carbohydrazide
CID 53431953
(3Z)-3-(2-phenylethylidene)indole
CID 135017063
(2R)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]propanoate
CID 135577590
(3Z)-3-[(E)-3-phenylprop-2-enylidene]indole
CID 6158640
2,4-dichloro-6-[(Z)-indol-3-ylidenemethyl]phenol
CID 135452445
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3H-1,3-thiazol-2-one
CID 135420896
2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]-3-methylbutanoate
CID 135607770
2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetate
CID 135679444
(2S)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]butanoate
CID 135830604
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one
CID 170996879
5-[(Z)-indol-3-ylidenemethyl]-2-phenyl-1H-imidazol-4-ol
CID 135986108

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-indol-3-ylideneacetate?
The IUPAC name of (2Z)-2-indol-3-ylideneacetate (CID 154586201) is (2Z)-2-indol-3-ylideneacetate.
What is the SMILES notation for (2Z)-2-indol-3-ylideneacetate?
The canonical SMILES for (2Z)-2-indol-3-ylideneacetate is O=C([O-])/C=C1\C=Nc2ccccc21.
What is the InChIKey of (2Z)-2-indol-3-ylideneacetate?
The InChIKey is ZNWKELRZJMEGNL-FNORWQNLSA-M. The full InChI is InChI=1S/C10H7NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-6H,(H,12,13)/p-1/b7-5+.
What are the key properties of (2Z)-2-indol-3-ylideneacetate?
(2Z)-2-indol-3-ylideneacetate has a molecular weight of 172.16 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-indol-3-ylideneacetate is sourced from PubChem (CID 154586201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).