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

C17H15N3OS — CID 6906118

IUPAC(3Z)-3-[(E)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one
SMILESC=CCN1C(=O)/C(=N\N=C\c2ccc(C)s2)c2ccccc21
InChIInChI=1S/C17H15N3OS/c1-3-10-20-15-7-5-4-6-14(15)16(17(20)21)19-18-11-13-9-8-12(2)22-13/h3-9,11H,1,10H2,2H3/b18-11+,19-16-
InChIKeyJCBIJCQMKYXFBE-DZKKHAQYSA-N
MW309.39 g/mol
LogP3.41
Rot. Bonds4

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

(3Z)-3-[(E)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one (PubChem CID 6906118) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is (3Z)-3-[(E)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(E)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one
PubChem CID6906118
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name(3Z)-3-[(E)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one
SMILESC=CCN1C(=O)/C(=N\N=C\c2ccc(C)s2)c2ccccc21
InChIInChI=1S/C17H15N3OS/c1-3-10-20-15-7-5-4-6-14(15)16(17(20)21)19-18-11-13-9-8-12(2)22-13/h3-9,11H,1,10H2,2H3/b18-11+,19-16-
InChIKeyJCBIJCQMKYXFBE-DZKKHAQYSA-N
XLogP3.41
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(E)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one?
The IUPAC name of (3Z)-3-[(E)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one (CID 6906118) is (3Z)-3-[(E)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one.
What is the SMILES notation for (3Z)-3-[(E)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one?
The canonical SMILES for (3Z)-3-[(E)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one is C=CCN1C(=O)/C(=N\N=C\c2ccc(C)s2)c2ccccc21.
What is the InChIKey of (3Z)-3-[(E)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one?
The InChIKey is JCBIJCQMKYXFBE-DZKKHAQYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-3-10-20-15-7-5-4-6-14(15)16(17(20)21)19-18-11-13-9-8-12(2)22-13/h3-9,11H,1,10H2,2H3/b18-11+,19-16-.
What are the key properties of (3Z)-3-[(E)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one?
(3Z)-3-[(E)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one has a molecular weight of 309.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(E)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one is sourced from PubChem (CID 6906118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).