(3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one

C20H15ClN4O — CID 162395350

IUPAC(3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESC=CCn1cc(/C=N\N=C2\C(=O)Nc3ccc(Cl)cc32)c2ccccc21
InChIInChI=1S/C20H15ClN4O/c1-2-9-25-12-13(15-5-3-4-6-18(15)25)11-22-24-19-16-10-14(21)7-8-17(16)23-20(19)26/h2-8,10-12H,1,9H2,(H,23,24,26)/b22-11-
InChIKeyOJKLWRGJHWHCJR-JJFYIABZSA-N
MW362.82 g/mol
LogP4.26
Rot. Bonds4

About (3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one

(3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one (PubChem CID 162395350) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is (3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one
PubChem CID162395350
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC Name(3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESC=CCn1cc(/C=N\N=C2\C(=O)Nc3ccc(Cl)cc32)c2ccccc21
InChIInChI=1S/C20H15ClN4O/c1-2-9-25-12-13(15-5-3-4-6-18(15)25)11-22-24-19-16-10-14(21)7-8-17(16)23-20(19)26/h2-8,10-12H,1,9H2,(H,23,24,26)/b22-11-
InChIKeyOJKLWRGJHWHCJR-JJFYIABZSA-N
XLogP4.26
TPSA58.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.26
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-chloro-1H-indol-2-one
CID 176730765
(5E)-5-[(1-prop-2-enylindol-3-yl)methylidene]imidazolidine-2,4-dione
CID 930056
3-[(2-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135537355
(2Z)-2-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135569133
2-(5-chloro-1-benzofuran-2-yl)-3-[(1-prop-2-enylindol-3-yl)methylideneamino]quinazolin-4-one
CID 126309273
2-bromo-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 29146968
2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 19060951
(5E)-1-(2-chlorophenyl)-5-[(1-prop-2-enylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126251114
2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 172865253
(3E)-6-chloro-3-[[1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]methylidene]-1H-indol-2-one
CID 21370122
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 21370420
2-(4-fluoroanilino)-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 126366968

Frequently Asked Questions

What is the IUPAC name of (3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one (CID 162395350) is (3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one is C=CCn1cc(/C=N\N=C2\C(=O)Nc3ccc(Cl)cc32)c2ccccc21.
What is the InChIKey of (3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one?
The InChIKey is OJKLWRGJHWHCJR-JJFYIABZSA-N. The full InChI is InChI=1S/C20H15ClN4O/c1-2-9-25-12-13(15-5-3-4-6-18(15)25)11-22-24-19-16-10-14(21)7-8-17(16)23-20(19)26/h2-8,10-12H,1,9H2,(H,23,24,26)/b22-11-.
What are the key properties of (3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one?
(3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one has a molecular weight of 362.82 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 162395350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).