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

C17H16N4O — CID 9460349

IUPAC(3E)-1-propyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one
SMILESCCCN1C(=O)/C(=N/N=C\c2ccccn2)c2ccccc21
InChIInChI=1S/C17H16N4O/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/h3-10,12H,2,11H2,1H3/b19-12-,20-16+
InChIKeyITEKQOWUWQILEE-XTTOOUNRSA-N
MW292.34 g/mol
LogP2.66
Rot. Bonds4

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

(3E)-1-propyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one (PubChem CID 9460349) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is (3E)-1-propyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one.

Molecular Properties

Compound Name(3E)-1-propyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one
PubChem CID9460349
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name(3E)-1-propyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one
SMILESCCCN1C(=O)/C(=N/N=C\c2ccccn2)c2ccccc21
InChIInChI=1S/C17H16N4O/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/h3-10,12H,2,11H2,1H3/b19-12-,20-16+
InChIKeyITEKQOWUWQILEE-XTTOOUNRSA-N
XLogP2.66
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.66
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3E)-1-prop-2-enyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one
CID 9216037
(3E)-3-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylidenehydrazinylidene]-1-propylindol-2-one
CID 9460537
(3E)-1-propyl-3-(pyridazin-3-ylmethylidene)indol-2-one
CID 122664974
3-[N-methyl-4-[(Z)-[(E)-(2-oxo-1-propylindol-3-ylidene)hydrazinylidene]methyl]anilino]propanenitrile
CID 9258983
(3E)-1-ethyl-3-[(Z)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]indol-2-one
CID 9122516
(3E)-3-[(Z)-(4-bromothiophen-2-yl)methylidenehydrazinylidene]-1-ethylindol-2-one
CID 9122414
2-(pyridin-2-ylmethylideneamino)isoindole-1,3-dione
CID 901062
hydron;2-propylisoindole-1,3-dione
CID 174827386
(3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 9214007
(3E)-1-ethyl-3-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]indol-2-one
CID 9122462
N-propyl-1-pyridin-2-ylmethanimine
CID 11205848
(3Z)-1-benzyl-3-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]indol-2-one
CID 9408852

Frequently Asked Questions

What is the IUPAC name of (3E)-1-propyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one?
The IUPAC name of (3E)-1-propyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one (CID 9460349) is (3E)-1-propyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one.
What is the SMILES notation for (3E)-1-propyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one?
The canonical SMILES for (3E)-1-propyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one is CCCN1C(=O)/C(=N/N=C\c2ccccn2)c2ccccc21.
What is the InChIKey of (3E)-1-propyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one?
The InChIKey is ITEKQOWUWQILEE-XTTOOUNRSA-N. The full InChI is InChI=1S/C17H16N4O/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/h3-10,12H,2,11H2,1H3/b19-12-,20-16+.
What are the key properties of (3E)-1-propyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one?
(3E)-1-propyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one has a molecular weight of 292.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-propyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one is sourced from PubChem (CID 9460349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).