(3Z)-5-hydroxy-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

C14H12N2O2 — CID 23647612

IUPAC(3Z)-5-hydroxy-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
SMILESCc1c[nH]c(/C=C2\C(=O)Nc3ccc(O)cc32)c1
InChIInChI=1S/C14H12N2O2/c1-8-4-9(15-7-8)5-12-11-6-10(17)2-3-13(11)16-14(12)18/h2-7,15,17H,1H3,(H,16,18)/b12-5-
InChIKeyBCAXZPBXHSIFDP-XGICHPGQSA-N
MW240.26 g/mol
LogP2.52
Rot. Bonds1

About (3Z)-5-hydroxy-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

(3Z)-5-hydroxy-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one (PubChem CID 23647612) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is (3Z)-5-hydroxy-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-hydroxy-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
PubChem CID23647612
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name(3Z)-5-hydroxy-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
SMILESCc1c[nH]c(/C=C2\C(=O)Nc3ccc(O)cc32)c1
InChIInChI=1S/C14H12N2O2/c1-8-4-9(15-7-8)5-12-11-6-10(17)2-3-13(11)16-14(12)18/h2-7,15,17H,1H3,(H,16,18)/b12-5-
InChIKeyBCAXZPBXHSIFDP-XGICHPGQSA-N
XLogP2.52
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-hydroxy-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-hydroxy-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one (CID 23647612) is (3Z)-5-hydroxy-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-hydroxy-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-hydroxy-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one is Cc1c[nH]c(/C=C2\C(=O)Nc3ccc(O)cc32)c1.
What is the InChIKey of (3Z)-5-hydroxy-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The InChIKey is BCAXZPBXHSIFDP-XGICHPGQSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-8-4-9(15-7-8)5-12-11-6-10(17)2-3-13(11)16-14(12)18/h2-7,15,17H,1H3,(H,16,18)/b12-5-.
What are the key properties of (3Z)-5-hydroxy-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
(3Z)-5-hydroxy-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 240.26 g/mol, XLogP of 2.52, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-hydroxy-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 23647612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).