(3Z)-1-benzyl-3-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]indol-2-one

C22H18N4O — CID 9408852

IUPAC(3Z)-1-benzyl-3-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]indol-2-one
SMILESC/C(=N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)c1ccccn1
InChIInChI=1S/C22H18N4O/c1-16(19-12-7-8-14-23-19)24-25-21-18-11-5-6-13-20(18)26(22(21)27)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3/b24-16-,25-21-
InChIKeyRKMUYEIYNALLTA-GVNMYPNBSA-N
MW354.41 g/mol
LogP3.84
Rot. Bonds4

About (3Z)-1-benzyl-3-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]indol-2-one

(3Z)-1-benzyl-3-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]indol-2-one (PubChem CID 9408852) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is (3Z)-1-benzyl-3-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]indol-2-one.

Molecular Properties

Compound Name(3Z)-1-benzyl-3-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]indol-2-one
PubChem CID9408852
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name(3Z)-1-benzyl-3-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]indol-2-one
SMILESC/C(=N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)c1ccccn1
InChIInChI=1S/C22H18N4O/c1-16(19-12-7-8-14-23-19)24-25-21-18-11-5-6-13-20(18)26(22(21)27)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3/b24-16-,25-21-
InChIKeyRKMUYEIYNALLTA-GVNMYPNBSA-N
XLogP3.84
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.84
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-1-benzyl-3-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]indol-2-one?
The IUPAC name of (3Z)-1-benzyl-3-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]indol-2-one (CID 9408852) is (3Z)-1-benzyl-3-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]indol-2-one.
What is the SMILES notation for (3Z)-1-benzyl-3-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]indol-2-one?
The canonical SMILES for (3Z)-1-benzyl-3-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]indol-2-one is C/C(=N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)c1ccccn1.
What is the InChIKey of (3Z)-1-benzyl-3-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]indol-2-one?
The InChIKey is RKMUYEIYNALLTA-GVNMYPNBSA-N. The full InChI is InChI=1S/C22H18N4O/c1-16(19-12-7-8-14-23-19)24-25-21-18-11-5-6-13-20(18)26(22(21)27)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3/b24-16-,25-21-.
What are the key properties of (3Z)-1-benzyl-3-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]indol-2-one?
(3Z)-1-benzyl-3-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]indol-2-one has a molecular weight of 354.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-benzyl-3-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]indol-2-one is sourced from PubChem (CID 9408852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).