(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(5-methyl-3-propan-2-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

C24H24N2O3 — CID 10126538

IUPAC(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(5-methyl-3-propan-2-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
SMILESCOc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2[nH]c(C)cc2C(C)C)ccc1O
InChIInChI=1S/C24H24N2O3/c1-13(2)18-9-14(3)25-21(18)12-19-17-7-5-15(10-20(17)26-24(19)28)16-6-8-22(27)23(11-16)29-4/h5-13,25,27H,1-4H3,(H,26,28)/b19-12-
InChIKeyGWQFKHRNTAMJAV-UNOMPAQXSA-N
MW388.47 g/mol
LogP5.32
Rot. Bonds4

About (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(5-methyl-3-propan-2-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(5-methyl-3-propan-2-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one (PubChem CID 10126538) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(5-methyl-3-propan-2-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(5-methyl-3-propan-2-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
PubChem CID10126538
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(5-methyl-3-propan-2-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
SMILESCOc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2[nH]c(C)cc2C(C)C)ccc1O
InChIInChI=1S/C24H24N2O3/c1-13(2)18-9-14(3)25-21(18)12-19-17-7-5-15(10-20(17)26-24(19)28)16-6-8-22(27)23(11-16)29-4/h5-13,25,27H,1-4H3,(H,26,28)/b19-12-
InChIKeyGWQFKHRNTAMJAV-UNOMPAQXSA-N
XLogP5.32
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(5-methyl-3-propan-2-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(5-methyl-3-propan-2-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one (CID 10126538) is (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(5-methyl-3-propan-2-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(5-methyl-3-propan-2-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(5-methyl-3-propan-2-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one is COc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2[nH]c(C)cc2C(C)C)ccc1O.
What is the InChIKey of (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(5-methyl-3-propan-2-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The InChIKey is GWQFKHRNTAMJAV-UNOMPAQXSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-13(2)18-9-14(3)25-21(18)12-19-17-7-5-15(10-20(17)26-24(19)28)16-6-8-22(27)23(11-16)29-4/h5-13,25,27H,1-4H3,(H,26,28)/b19-12-.
What are the key properties of (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(5-methyl-3-propan-2-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(5-methyl-3-propan-2-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 388.47 g/mol, XLogP of 5.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(5-methyl-3-propan-2-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 10126538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).