(3Z)-6-(4-hydroxyphenyl)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one

C19H14N2O2 — CID 23646835

IUPAC(3Z)-6-(4-hydroxyphenyl)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2cc(-c3ccc(O)cc3)ccc2/C1=C/c1cc[nH]c1
InChIInChI=1S/C19H14N2O2/c22-15-4-1-13(2-5-15)14-3-6-16-17(9-12-7-8-20-11-12)19(23)21-18(16)10-14/h1-11,20,22H,(H,21,23)/b17-9-
InChIKeyCYPOVAOPGUUDEH-MFOYZWKCSA-N
MW302.33 g/mol
LogP3.88
Rot. Bonds2

About (3Z)-6-(4-hydroxyphenyl)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one

(3Z)-6-(4-hydroxyphenyl)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one (PubChem CID 23646835) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is (3Z)-6-(4-hydroxyphenyl)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-6-(4-hydroxyphenyl)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one
PubChem CID23646835
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name(3Z)-6-(4-hydroxyphenyl)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2cc(-c3ccc(O)cc3)ccc2/C1=C/c1cc[nH]c1
InChIInChI=1S/C19H14N2O2/c22-15-4-1-13(2-5-15)14-3-6-16-17(9-12-7-8-20-11-12)19(23)21-18(16)10-14/h1-11,20,22H,(H,21,23)/b17-9-
InChIKeyCYPOVAOPGUUDEH-MFOYZWKCSA-N
XLogP3.88
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_L(4)', '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)-6-(4-hydroxyphenyl)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-6-(4-hydroxyphenyl)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one (CID 23646835) is (3Z)-6-(4-hydroxyphenyl)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-6-(4-hydroxyphenyl)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-6-(4-hydroxyphenyl)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one is O=C1Nc2cc(-c3ccc(O)cc3)ccc2/C1=C/c1cc[nH]c1.
What is the InChIKey of (3Z)-6-(4-hydroxyphenyl)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one?
The InChIKey is CYPOVAOPGUUDEH-MFOYZWKCSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-15-4-1-13(2-5-15)14-3-6-16-17(9-12-7-8-20-11-12)19(23)21-18(16)10-14/h1-11,20,22H,(H,21,23)/b17-9-.
What are the key properties of (3Z)-6-(4-hydroxyphenyl)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one?
(3Z)-6-(4-hydroxyphenyl)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one has a molecular weight of 302.33 g/mol, XLogP of 3.88, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-(4-hydroxyphenyl)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 23646835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).