(3E)-1-prop-2-enyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one

C17H14N4O — CID 9216037

IUPAC(3E)-1-prop-2-enyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one
SMILESC=CCN1C(=O)/C(=N/N=C\c2ccccn2)c2ccccc21
InChIInChI=1S/C17H14N4O/c1-2-11-21-15-9-4-3-8-14(15)16(17(21)22)20-19-12-13-7-5-6-10-18-13/h2-10,12H,1,11H2/b19-12-,20-16+
InChIKeyFWYOIORTEXHBRY-XTTOOUNRSA-N
MW290.33 g/mol
LogP2.44
Rot. Bonds4

About (3E)-1-prop-2-enyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one

(3E)-1-prop-2-enyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one (PubChem CID 9216037) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is (3E)-1-prop-2-enyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one.

Molecular Properties

Compound Name(3E)-1-prop-2-enyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one
PubChem CID9216037
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name(3E)-1-prop-2-enyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one
SMILESC=CCN1C(=O)/C(=N/N=C\c2ccccn2)c2ccccc21
InChIInChI=1S/C17H14N4O/c1-2-11-21-15-9-4-3-8-14(15)16(17(21)22)20-19-12-13-7-5-6-10-18-13/h2-10,12H,1,11H2/b19-12-,20-16+
InChIKeyFWYOIORTEXHBRY-XTTOOUNRSA-N
XLogP2.44
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.44
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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Related Compounds

(3E)-1-propyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one
CID 9460349
2-nitro-4-[(Z)-[(Z)-(2-oxo-1-prop-2-enylindol-3-ylidene)hydrazinylidene]methyl]phenolate
CID 9215978
(3E)-1-prop-2-enyl-3-[(E)-[2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]indol-2-one
CID 6904542
(3Z)-3-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one
CID 135702042
(3Z)-3-[(E)-(4-hydroxy-3-nitrophenyl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one
CID 135577356
(3Z)-3-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylidenehydrazinylidene]-1-prop-2-enylindol-2-one
CID 9216065
(3E)-3-(2-oxo-1-prop-2-enylindol-3-ylidene)-1-prop-2-enylindol-2-one
CID 102050008
(3E)-3-(2-adamantylidenehydrazinylidene)-1-prop-2-enylindol-2-one
CID 9216091
methyl N-(2-oxo-1-prop-2-enylindol-3-ylidene)carbamate
CID 174077132
3-(1,1-dioxothiolan-3-yl)imino-1-prop-2-enylindol-2-one
CID 44614948
2-(pyridin-2-ylmethylideneamino)isoindole-1,3-dione
CID 901062
3-(3-chloro-4-methylphenyl)imino-1-prop-2-enylindol-2-one
CID 3513622

Frequently Asked Questions

What is the IUPAC name of (3E)-1-prop-2-enyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one?
The IUPAC name of (3E)-1-prop-2-enyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one (CID 9216037) is (3E)-1-prop-2-enyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one.
What is the SMILES notation for (3E)-1-prop-2-enyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one?
The canonical SMILES for (3E)-1-prop-2-enyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one is C=CCN1C(=O)/C(=N/N=C\c2ccccn2)c2ccccc21.
What is the InChIKey of (3E)-1-prop-2-enyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one?
The InChIKey is FWYOIORTEXHBRY-XTTOOUNRSA-N. The full InChI is InChI=1S/C17H14N4O/c1-2-11-21-15-9-4-3-8-14(15)16(17(21)22)20-19-12-13-7-5-6-10-18-13/h2-10,12H,1,11H2/b19-12-,20-16+.
What are the key properties of (3E)-1-prop-2-enyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one?
(3E)-1-prop-2-enyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one has a molecular weight of 290.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-prop-2-enyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one is sourced from PubChem (CID 9216037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).