N-(1-cyclopenta-2,4-dien-1-ylideneethyl)benzenecarbohydrazonate

C14H13N2O- — CID 4166272

IUPACN-(1-cyclopenta-2,4-dien-1-ylideneethyl)benzenecarbohydrazonate
SMILESCC(NN=C([O-])c1ccccc1)=C1C=CC=C1
InChIInChI=1S/C14H14N2O/c1-11(12-7-5-6-8-12)15-16-14(17)13-9-3-2-4-10-13/h2-10,15H,1H3,(H,16,17)/p-1
InChIKeyWWXROFRQPSKOJK-UHFFFAOYSA-M
MW225.27 g/mol
LogP1.70
Rot. Bonds3

About N-(1-cyclopenta-2,4-dien-1-ylideneethyl)benzenecarbohydrazonate

N-(1-cyclopenta-2,4-dien-1-ylideneethyl)benzenecarbohydrazonate (PubChem CID 4166272) has the molecular formula C14H13N2O- and a molecular weight of 225.27 g/mol. Its IUPAC name is N-(1-cyclopenta-2,4-dien-1-ylideneethyl)benzenecarbohydrazonate.

Molecular Properties

Compound NameN-(1-cyclopenta-2,4-dien-1-ylideneethyl)benzenecarbohydrazonate
PubChem CID4166272
Molecular FormulaC14H13N2O-
Molecular Weight225.27 g/mol
Exact Mass225.10
IUPAC NameN-(1-cyclopenta-2,4-dien-1-ylideneethyl)benzenecarbohydrazonate
SMILESCC(NN=C([O-])c1ccccc1)=C1C=CC=C1
InChIInChI=1S/C14H14N2O/c1-11(12-7-5-6-8-12)15-16-14(17)13-9-3-2-4-10-13/h2-10,15H,1H3,(H,16,17)/p-1
InChIKeyWWXROFRQPSKOJK-UHFFFAOYSA-M
XLogP1.70
TPSA47.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(1-cyclopenta-2,4-dien-1-ylideneethyl)benzenecarbohydrazonate 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 N-(1-cyclopenta-2,4-dien-1-ylideneethyl)benzenecarbohydrazonate?
The IUPAC name of N-(1-cyclopenta-2,4-dien-1-ylideneethyl)benzenecarbohydrazonate (CID 4166272) is N-(1-cyclopenta-2,4-dien-1-ylideneethyl)benzenecarbohydrazonate.
What is the SMILES notation for N-(1-cyclopenta-2,4-dien-1-ylideneethyl)benzenecarbohydrazonate?
The canonical SMILES for N-(1-cyclopenta-2,4-dien-1-ylideneethyl)benzenecarbohydrazonate is CC(NN=C([O-])c1ccccc1)=C1C=CC=C1.
What is the InChIKey of N-(1-cyclopenta-2,4-dien-1-ylideneethyl)benzenecarbohydrazonate?
The InChIKey is WWXROFRQPSKOJK-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H14N2O/c1-11(12-7-5-6-8-12)15-16-14(17)13-9-3-2-4-10-13/h2-10,15H,1H3,(H,16,17)/p-1.
What are the key properties of N-(1-cyclopenta-2,4-dien-1-ylideneethyl)benzenecarbohydrazonate?
N-(1-cyclopenta-2,4-dien-1-ylideneethyl)benzenecarbohydrazonate has a molecular weight of 225.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopenta-2,4-dien-1-ylideneethyl)benzenecarbohydrazonate is sourced from PubChem (CID 4166272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).