(3E)-3-(2-hydroxypropylidene)-1H-indol-2-one

C11H11NO2 — CID 177425892

IUPAC(3E)-3-(2-hydroxypropylidene)-1H-indol-2-one
SMILESCC(O)/C=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C11H11NO2/c1-7(13)6-9-8-4-2-3-5-10(8)12-11(9)14/h2-7,13H,1H3,(H,12,14)/b9-6+
InChIKeyMESJPLJMOIZHMY-RMKNXTFCSA-N
MW189.21 g/mol
LogP1.40
Rot. Bonds1

About (3E)-3-(2-hydroxypropylidene)-1H-indol-2-one

(3E)-3-(2-hydroxypropylidene)-1H-indol-2-one (PubChem CID 177425892) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (3E)-3-(2-hydroxypropylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-(2-hydroxypropylidene)-1H-indol-2-one
PubChem CID177425892
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(3E)-3-(2-hydroxypropylidene)-1H-indol-2-one
SMILESCC(O)/C=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C11H11NO2/c1-7(13)6-9-8-4-2-3-5-10(8)12-11(9)14/h2-7,13H,1H3,(H,12,14)/b9-6+
InChIKeyMESJPLJMOIZHMY-RMKNXTFCSA-N
XLogP1.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-(3-methylbutylidene)-1H-indol-2-one
CID 6989941
(3Z)-3-[(3E)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 6289582
(3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 5378858
(2E)-2-(2-oxo-1H-indol-3-ylidene)acetate
CID 2345191
(3Z)-3-phenacylidene-1H-indol-2-one
CID 682362
(3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one
CID 69304942
cyclopentane;3-(cyclopentylmethylidene)-1H-indol-2-one;iron(2+)
CID 154701298
(3E)-3-[(1-propan-2-ylbenzimidazol-2-yl)methylidene]-1H-indol-2-one
CID 137290242
(3E)-3-[[4-(methoxyamino)phenyl]methylidene]-1H-indol-2-one
CID 134593398
2,2,5-trimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1,3-dioxane-4,6-dione
CID 11055719
(3E)-3-[(4-methylpiperazin-1-yl)methylidene]-1H-indol-2-one
CID 113195888
CID 57369962
CID 57369962

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(2-hydroxypropylidene)-1H-indol-2-one?
The IUPAC name of (3E)-3-(2-hydroxypropylidene)-1H-indol-2-one (CID 177425892) is (3E)-3-(2-hydroxypropylidene)-1H-indol-2-one.
What is the SMILES notation for (3E)-3-(2-hydroxypropylidene)-1H-indol-2-one?
The canonical SMILES for (3E)-3-(2-hydroxypropylidene)-1H-indol-2-one is CC(O)/C=C1/C(=O)Nc2ccccc21.
What is the InChIKey of (3E)-3-(2-hydroxypropylidene)-1H-indol-2-one?
The InChIKey is MESJPLJMOIZHMY-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7(13)6-9-8-4-2-3-5-10(8)12-11(9)14/h2-7,13H,1H3,(H,12,14)/b9-6+.
What are the key properties of (3E)-3-(2-hydroxypropylidene)-1H-indol-2-one?
(3E)-3-(2-hydroxypropylidene)-1H-indol-2-one has a molecular weight of 189.21 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2-hydroxypropylidene)-1H-indol-2-one is sourced from PubChem (CID 177425892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).