ethyl (2E)-2-(phenylcarbamoylhydrazinylidene)cyclopentane-1-carboxylate

C15H19N3O3 — CID 134123544

IUPACethyl (2E)-2-(phenylcarbamoylhydrazinylidene)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC/C1=N\NC(=O)Nc1ccccc1
InChIInChI=1S/C15H19N3O3/c1-2-21-14(19)12-9-6-10-13(12)17-18-15(20)16-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H2,16,18,20)/b17-13+
InChIKeyRAVQKYIFYICUAO-GHRIWEEISA-N
MW289.33 g/mol
LogP2.53
Rot. Bonds4

About ethyl (2E)-2-(phenylcarbamoylhydrazinylidene)cyclopentane-1-carboxylate

ethyl (2E)-2-(phenylcarbamoylhydrazinylidene)cyclopentane-1-carboxylate (PubChem CID 134123544) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is ethyl (2E)-2-(phenylcarbamoylhydrazinylidene)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (2E)-2-(phenylcarbamoylhydrazinylidene)cyclopentane-1-carboxylate
PubChem CID134123544
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Nameethyl (2E)-2-(phenylcarbamoylhydrazinylidene)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC/C1=N\NC(=O)Nc1ccccc1
InChIInChI=1S/C15H19N3O3/c1-2-21-14(19)12-9-6-10-13(12)17-18-15(20)16-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H2,16,18,20)/b17-13+
InChIKeyRAVQKYIFYICUAO-GHRIWEEISA-N
XLogP2.53
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
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'}

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Related Compounds

ethyl (1R)-2-[(4-chlorobenzoyl)hydrazinylidene]cyclopentane-1-carboxylate
CID 129439843
ethyl (2E)-2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]cyclopentane-1-carboxylate
CID 6117341
diethyl (4R)-2-(phenylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3,4-dicarboxylate
CID 1234216
trans-diethyl (1R,2E,4R,5Z)-2,5-bis(phenylhydrazinylidene)cyclohexane-1,4-dicarboxylate
CID 26475706
ethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate
CID 51250741
ethyl (5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carboxylate
CID 124678849
N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-phenylbutanediamide
CID 5413708
ethyl (1S,2S,3R)-2-(hydrazinecarbonyl)-3-(phenylcarbamoyl)cyclopropane-1-carboxylate
CID 11876592
ethyl (3S,4E)-1-methyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-3-carboxylate
CID 5391330
ethyl 3-(phenylcarbamoyl)oxirane-2-carboxylate
CID 13150800
ethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate
CID 44999677
ethyl (2R)-1-[5-(phenylcarbamoylamino)thiophene-2-carbonyl]pyrrolidine-2-carboxylate
CID 97260222

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(phenylcarbamoylhydrazinylidene)cyclopentane-1-carboxylate?
The IUPAC name of ethyl (2E)-2-(phenylcarbamoylhydrazinylidene)cyclopentane-1-carboxylate (CID 134123544) is ethyl (2E)-2-(phenylcarbamoylhydrazinylidene)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (2E)-2-(phenylcarbamoylhydrazinylidene)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl (2E)-2-(phenylcarbamoylhydrazinylidene)cyclopentane-1-carboxylate is CCOC(=O)C1CCC/C1=N\NC(=O)Nc1ccccc1.
What is the InChIKey of ethyl (2E)-2-(phenylcarbamoylhydrazinylidene)cyclopentane-1-carboxylate?
The InChIKey is RAVQKYIFYICUAO-GHRIWEEISA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-21-14(19)12-9-6-10-13(12)17-18-15(20)16-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H2,16,18,20)/b17-13+.
What are the key properties of ethyl (2E)-2-(phenylcarbamoylhydrazinylidene)cyclopentane-1-carboxylate?
ethyl (2E)-2-(phenylcarbamoylhydrazinylidene)cyclopentane-1-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(phenylcarbamoylhydrazinylidene)cyclopentane-1-carboxylate is sourced from PubChem (CID 134123544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).