(3Z)-3-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylidenehydrazinylidene]-1H-indol-2-one

C19H22N4O — CID 135591329

IUPAC(3Z)-3-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylidenehydrazinylidene]-1H-indol-2-one
SMILESCc1cc(/C=N/N=C2\C(=O)Nc3ccccc32)c(C)n1CC(C)C
InChIInChI=1S/C19H22N4O/c1-12(2)11-23-13(3)9-15(14(23)4)10-20-22-18-16-7-5-6-8-17(16)21-19(18)24/h5-10,12H,11H2,1-4H3,(H,21,22,24)/b20-10+
InChIKeyFGRZFQWWJKACRJ-KEBDBYFISA-N
MW322.41 g/mol
LogP3.54
Rot. Bonds4

About (3Z)-3-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylidenehydrazinylidene]-1H-indol-2-one

(3Z)-3-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylidenehydrazinylidene]-1H-indol-2-one (PubChem CID 135591329) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is (3Z)-3-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylidenehydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylidenehydrazinylidene]-1H-indol-2-one
PubChem CID135591329
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name(3Z)-3-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylidenehydrazinylidene]-1H-indol-2-one
SMILESCc1cc(/C=N/N=C2\C(=O)Nc3ccccc32)c(C)n1CC(C)C
InChIInChI=1S/C19H22N4O/c1-12(2)11-23-13(3)9-15(14(23)4)10-20-22-18-16-7-5-6-8-17(16)21-19(18)24/h5-10,12H,11H2,1-4H3,(H,21,22,24)/b20-10+
InChIKeyFGRZFQWWJKACRJ-KEBDBYFISA-N
XLogP3.54
TPSA58.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[(E)-[9-(2-methylpropyl)pyrido[3,4-b]indol-3-yl]methylidenehydrazinylidene]-1H-indol-2-one
CID 168873420
3-[(2-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135537355
(3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135763283
(3Z)-3-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135674247
(3Z)-3-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1H-indol-2-one
CID 135411606
(3Z)-3-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135425137
3-[(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135445848
3-[(9-methylpyrido[3,4-b]indol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one
CID 175422623
3-[(4-bromophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135521060
(3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135823201
3-[(E)-(9-butyl-1-methylpyrido[3,4-b]indol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one
CID 175422602
(3Z)-3-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1H-indol-2-one
CID 136828463

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylidenehydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylidenehydrazinylidene]-1H-indol-2-one (CID 135591329) is (3Z)-3-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylidenehydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylidenehydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylidenehydrazinylidene]-1H-indol-2-one is Cc1cc(/C=N/N=C2\C(=O)Nc3ccccc32)c(C)n1CC(C)C.
What is the InChIKey of (3Z)-3-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylidenehydrazinylidene]-1H-indol-2-one?
The InChIKey is FGRZFQWWJKACRJ-KEBDBYFISA-N. The full InChI is InChI=1S/C19H22N4O/c1-12(2)11-23-13(3)9-15(14(23)4)10-20-22-18-16-7-5-6-8-17(16)21-19(18)24/h5-10,12H,11H2,1-4H3,(H,21,22,24)/b20-10+.
What are the key properties of (3Z)-3-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylidenehydrazinylidene]-1H-indol-2-one?
(3Z)-3-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylidenehydrazinylidene]-1H-indol-2-one has a molecular weight of 322.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylidenehydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 135591329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).