(3Z)-3-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

C17H18N2O — CID 10635478

IUPAC(3Z)-3-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
SMILESCCc1c(/C=C2\C(=O)Nc3ccccc32)[nH]c(C)c1C
InChIInChI=1S/C17H18N2O/c1-4-12-10(2)11(3)18-16(12)9-14-13-7-5-6-8-15(13)19-17(14)20/h5-9,18H,4H2,1-3H3,(H,19,20)/b14-9-
InChIKeyHKJUJLRPOAIDLV-ZROIWOOFSA-N
MW266.34 g/mol
LogP3.69
Rot. Bonds2

About (3Z)-3-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

(3Z)-3-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one (PubChem CID 10635478) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (3Z)-3-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
PubChem CID10635478
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(3Z)-3-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
SMILESCCc1c(/C=C2\C(=O)Nc3ccccc32)[nH]c(C)c1C
InChIInChI=1S/C17H18N2O/c1-4-12-10(2)11(3)18-16(12)9-14-13-7-5-6-8-15(13)19-17(14)20/h5-9,18H,4H2,1-3H3,(H,19,20)/b14-9-
InChIKeyHKJUJLRPOAIDLV-ZROIWOOFSA-N
XLogP3.69
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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)-3-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one (CID 10635478) is (3Z)-3-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one is CCc1c(/C=C2\C(=O)Nc3ccccc32)[nH]c(C)c1C.
What is the InChIKey of (3Z)-3-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The InChIKey is HKJUJLRPOAIDLV-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H18N2O/c1-4-12-10(2)11(3)18-16(12)9-14-13-7-5-6-8-15(13)19-17(14)20/h5-9,18H,4H2,1-3H3,(H,19,20)/b14-9-.
What are the key properties of (3Z)-3-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
(3Z)-3-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 10635478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).