(2Z)-2-(pyridin-4-ylmethylidene)-1H-indol-3-one

C14H10N2O — CID 6051558

IUPAC(2Z)-2-(pyridin-4-ylmethylidene)-1H-indol-3-one
SMILESO=C1/C(=C/c2ccncc2)Nc2ccccc21
InChIInChI=1S/C14H10N2O/c17-14-11-3-1-2-4-12(11)16-13(14)9-10-5-7-15-8-6-10/h1-9,16H/b13-9-
InChIKeyRKPNOPUQLXQWFS-LCYFTJDESA-N
MW222.25 g/mol
LogP2.73
Rot. Bonds1

About (2Z)-2-(pyridin-4-ylmethylidene)-1H-indol-3-one

(2Z)-2-(pyridin-4-ylmethylidene)-1H-indol-3-one (PubChem CID 6051558) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is (2Z)-2-(pyridin-4-ylmethylidene)-1H-indol-3-one.

Molecular Properties

Compound Name(2Z)-2-(pyridin-4-ylmethylidene)-1H-indol-3-one
PubChem CID6051558
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name(2Z)-2-(pyridin-4-ylmethylidene)-1H-indol-3-one
SMILESO=C1/C(=C/c2ccncc2)Nc2ccccc21
InChIInChI=1S/C14H10N2O/c17-14-11-3-1-2-4-12(11)16-13(14)9-10-5-7-15-8-6-10/h1-9,16H/b13-9-
InChIKeyRKPNOPUQLXQWFS-LCYFTJDESA-N
XLogP2.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Phenyl-3-pyridinylmethanone
CID 21540
3-Acetylindole
CID 12802
2-Benzoylpyridine
CID 7038
1H-indole-3-carboxamide
CID 2192542
Phenyl(1H-pyrrol-2-YL)methanone
CID 24370
Indole, 3-(dimethylaminoacetyl)-
CID 34863
N-(4-pyridyl)benzamide
CID 78893
1-(1H-Indol-3-yl)-2-(1-piperidinyl)ethanone
CID 34864
6-(Phenylamino)-5,8-quinolinedione
CID 3976
3-(3-Dimethylaminopropionyl)indole
CID 32750
Indole, 3-((diethylamino)acetyl)-
CID 56375
2-(1H-Indol-3-yl)-N,N-dimethyl-2-oxo-acetamide
CID 34471

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(pyridin-4-ylmethylidene)-1H-indol-3-one?
The IUPAC name of (2Z)-2-(pyridin-4-ylmethylidene)-1H-indol-3-one (CID 6051558) is (2Z)-2-(pyridin-4-ylmethylidene)-1H-indol-3-one.
What is the SMILES notation for (2Z)-2-(pyridin-4-ylmethylidene)-1H-indol-3-one?
The canonical SMILES for (2Z)-2-(pyridin-4-ylmethylidene)-1H-indol-3-one is O=C1/C(=C/c2ccncc2)Nc2ccccc21.
What is the InChIKey of (2Z)-2-(pyridin-4-ylmethylidene)-1H-indol-3-one?
The InChIKey is RKPNOPUQLXQWFS-LCYFTJDESA-N. The full InChI is InChI=1S/C14H10N2O/c17-14-11-3-1-2-4-12(11)16-13(14)9-10-5-7-15-8-6-10/h1-9,16H/b13-9-.
What are the key properties of (2Z)-2-(pyridin-4-ylmethylidene)-1H-indol-3-one?
(2Z)-2-(pyridin-4-ylmethylidene)-1H-indol-3-one has a molecular weight of 222.25 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(pyridin-4-ylmethylidene)-1H-indol-3-one is sourced from PubChem (CID 6051558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).