(3Z)-5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one

C19H13FN2O2 — CID 18363885

IUPAC(3Z)-5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(F)c(-c3ccc(O)cc3)c2/C1=C/c1ccc[nH]1
InChIInChI=1S/C19H13FN2O2/c20-15-7-8-16-18(17(15)11-3-5-13(23)6-4-11)14(19(24)22-16)10-12-2-1-9-21-12/h1-10,21,23H,(H,22,24)/b14-10-
InChIKeyMGVFJSXWBTWOSV-UVTDQMKNSA-N
MW320.32 g/mol
LogP4.02
Rot. Bonds2

About (3Z)-5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one

(3Z)-5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one (PubChem CID 18363885) has the molecular formula C19H13FN2O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is (3Z)-5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
PubChem CID18363885
Molecular FormulaC19H13FN2O2
Molecular Weight320.32 g/mol
Exact Mass320.10
IUPAC Name(3Z)-5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(F)c(-c3ccc(O)cc3)c2/C1=C/c1ccc[nH]1
InChIInChI=1S/C19H13FN2O2/c20-15-7-8-16-18(17(15)11-3-5-13(23)6-4-11)14(19(24)22-16)10-12-2-1-9-21-12/h1-10,21,23H,(H,22,24)/b14-10-
InChIKeyMGVFJSXWBTWOSV-UVTDQMKNSA-N
XLogP4.02
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one (CID 18363885) is (3Z)-5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one is O=C1Nc2ccc(F)c(-c3ccc(O)cc3)c2/C1=C/c1ccc[nH]1.
What is the InChIKey of (3Z)-5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is MGVFJSXWBTWOSV-UVTDQMKNSA-N. The full InChI is InChI=1S/C19H13FN2O2/c20-15-7-8-16-18(17(15)11-3-5-13(23)6-4-11)14(19(24)22-16)10-12-2-1-9-21-12/h1-10,21,23H,(H,22,24)/b14-10-.
What are the key properties of (3Z)-5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
(3Z)-5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 320.32 g/mol, XLogP of 4.02, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 18363885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).