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

C15H14N2O2 — CID 10131254

IUPAC(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-hydroxy-1H-indol-2-one
SMILESCc1cc(C)c(/C=C2\C(=O)Nc3ccc(O)cc32)[nH]1
InChIInChI=1S/C15H14N2O2/c1-8-5-9(2)16-14(8)7-12-11-6-10(18)3-4-13(11)17-15(12)19/h3-7,16,18H,1-2H3,(H,17,19)/b12-7-
InChIKeyGUXYHZUGDWFOBA-GHXNOFRVSA-N
MW254.29 g/mol
LogP2.83
Rot. Bonds1

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

(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-hydroxy-1H-indol-2-one (PubChem CID 10131254) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-hydroxy-1H-indol-2-one
PubChem CID10131254
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-hydroxy-1H-indol-2-one
SMILESCc1cc(C)c(/C=C2\C(=O)Nc3ccc(O)cc32)[nH]1
InChIInChI=1S/C15H14N2O2/c1-8-5-9(2)16-14(8)7-12-11-6-10(18)3-4-13(11)17-15(12)19/h3-7,16,18H,1-2H3,(H,17,19)/b12-7-
InChIKeyGUXYHZUGDWFOBA-GHXNOFRVSA-N
XLogP2.83
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.83
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)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-hydroxy-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-hydroxy-1H-indol-2-one (CID 10131254) is (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-hydroxy-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-hydroxy-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-hydroxy-1H-indol-2-one is Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(O)cc32)[nH]1.
What is the InChIKey of (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-hydroxy-1H-indol-2-one?
The InChIKey is GUXYHZUGDWFOBA-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-8-5-9(2)16-14(8)7-12-11-6-10(18)3-4-13(11)17-15(12)19/h3-7,16,18H,1-2H3,(H,17,19)/b12-7-.
What are the key properties of (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-hydroxy-1H-indol-2-one?
(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-hydroxy-1H-indol-2-one has a molecular weight of 254.29 g/mol, XLogP of 2.83, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-hydroxy-1H-indol-2-one is sourced from PubChem (CID 10131254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).