(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(pyrrolidin-2-ylmethylidene)-1H-indol-2-one

C20H20N2O3 — CID 23646842

IUPAC(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(pyrrolidin-2-ylmethylidene)-1H-indol-2-one
SMILESCOc1cc(-c2ccc3c(c2)NC(=O)/C3=C\C2CCCN2)ccc1O
InChIInChI=1S/C20H20N2O3/c1-25-19-10-13(5-7-18(19)23)12-4-6-15-16(11-14-3-2-8-21-14)20(24)22-17(15)9-12/h4-7,9-11,14,21,23H,2-3,8H2,1H3,(H,22,24)/b16-11-
InChIKeyHPASROKUICLKIP-WJDWOHSUSA-N
MW336.39 g/mol
LogP3.16
Rot. Bonds3

About (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(pyrrolidin-2-ylmethylidene)-1H-indol-2-one

(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(pyrrolidin-2-ylmethylidene)-1H-indol-2-one (PubChem CID 23646842) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(pyrrolidin-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(pyrrolidin-2-ylmethylidene)-1H-indol-2-one
PubChem CID23646842
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(pyrrolidin-2-ylmethylidene)-1H-indol-2-one
SMILESCOc1cc(-c2ccc3c(c2)NC(=O)/C3=C\C2CCCN2)ccc1O
InChIInChI=1S/C20H20N2O3/c1-25-19-10-13(5-7-18(19)23)12-4-6-15-16(11-14-3-2-8-21-14)20(24)22-17(15)9-12/h4-7,9-11,14,21,23H,2-3,8H2,1H3,(H,22,24)/b16-11-
InChIKeyHPASROKUICLKIP-WJDWOHSUSA-N
XLogP3.16
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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)-6-(4-hydroxy-3-methoxyphenyl)-3-(pyrrolidin-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(pyrrolidin-2-ylmethylidene)-1H-indol-2-one (CID 23646842) is (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(pyrrolidin-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(pyrrolidin-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(pyrrolidin-2-ylmethylidene)-1H-indol-2-one is COc1cc(-c2ccc3c(c2)NC(=O)/C3=C\C2CCCN2)ccc1O.
What is the InChIKey of (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(pyrrolidin-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is HPASROKUICLKIP-WJDWOHSUSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-25-19-10-13(5-7-18(19)23)12-4-6-15-16(11-14-3-2-8-21-14)20(24)22-17(15)9-12/h4-7,9-11,14,21,23H,2-3,8H2,1H3,(H,22,24)/b16-11-.
What are the key properties of (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(pyrrolidin-2-ylmethylidene)-1H-indol-2-one?
(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(pyrrolidin-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 336.39 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(pyrrolidin-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 23646842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).