(4E)-2-phenyl-4-(pyridin-2-ylhydrazinylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one

C19H17N5O — CID 135496169

IUPAC(4E)-2-phenyl-4-(pyridin-2-ylhydrazinylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
SMILESO=C1NCC/C(=N\Nc2ccccn2)c2cc(-c3ccccc3)[nH]c21
InChIInChI=1S/C19H17N5O/c25-19-18-14(12-16(22-18)13-6-2-1-3-7-13)15(9-11-21-19)23-24-17-8-4-5-10-20-17/h1-8,10,12,22H,9,11H2,(H,20,24)(H,21,25)/b23-15+
InChIKeyHSMFWHZDRDNONG-HZHRSRAPSA-N
MW331.38 g/mol
LogP3.03
Rot. Bonds3

About (4E)-2-phenyl-4-(pyridin-2-ylhydrazinylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one

(4E)-2-phenyl-4-(pyridin-2-ylhydrazinylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one (PubChem CID 135496169) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is (4E)-2-phenyl-4-(pyridin-2-ylhydrazinylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one.

Molecular Properties

Compound Name(4E)-2-phenyl-4-(pyridin-2-ylhydrazinylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
PubChem CID135496169
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name(4E)-2-phenyl-4-(pyridin-2-ylhydrazinylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
SMILESO=C1NCC/C(=N\Nc2ccccn2)c2cc(-c3ccccc3)[nH]c21
InChIInChI=1S/C19H17N5O/c25-19-18-14(12-16(22-18)13-6-2-1-3-7-13)15(9-11-21-19)23-24-17-8-4-5-10-20-17/h1-8,10,12,22H,9,11H2,(H,20,24)(H,21,25)/b23-15+
InChIKeyHSMFWHZDRDNONG-HZHRSRAPSA-N
XLogP3.03
TPSA82.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4E)-2-phenyl-4-(pyridin-2-ylhydrazinylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4E)-2-phenyl-4-(pyridin-2-ylhydrazinylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one?
The IUPAC name of (4E)-2-phenyl-4-(pyridin-2-ylhydrazinylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one (CID 135496169) is (4E)-2-phenyl-4-(pyridin-2-ylhydrazinylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one.
What is the SMILES notation for (4E)-2-phenyl-4-(pyridin-2-ylhydrazinylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one?
The canonical SMILES for (4E)-2-phenyl-4-(pyridin-2-ylhydrazinylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one is O=C1NCC/C(=N\Nc2ccccn2)c2cc(-c3ccccc3)[nH]c21.
What is the InChIKey of (4E)-2-phenyl-4-(pyridin-2-ylhydrazinylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one?
The InChIKey is HSMFWHZDRDNONG-HZHRSRAPSA-N. The full InChI is InChI=1S/C19H17N5O/c25-19-18-14(12-16(22-18)13-6-2-1-3-7-13)15(9-11-21-19)23-24-17-8-4-5-10-20-17/h1-8,10,12,22H,9,11H2,(H,20,24)(H,21,25)/b23-15+.
What are the key properties of (4E)-2-phenyl-4-(pyridin-2-ylhydrazinylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one?
(4E)-2-phenyl-4-(pyridin-2-ylhydrazinylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one has a molecular weight of 331.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-phenyl-4-(pyridin-2-ylhydrazinylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one is sourced from PubChem (CID 135496169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).