ethyl (1R)-2-[(4-chlorobenzoyl)hydrazinylidene]cyclopentane-1-carboxylate

C15H17ClN2O3 — CID 129439843

IUPACethyl (1R)-2-[(4-chlorobenzoyl)hydrazinylidene]cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCCC1=NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O3/c1-2-21-15(20)12-4-3-5-13(12)17-18-14(19)10-6-8-11(16)9-7-10/h6-9,12H,2-5H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyOVCDVGVNXIYETR-GFCCVEGCSA-N
MW308.76 g/mol
LogP2.79
Rot. Bonds4

About ethyl (1R)-2-[(4-chlorobenzoyl)hydrazinylidene]cyclopentane-1-carboxylate

ethyl (1R)-2-[(4-chlorobenzoyl)hydrazinylidene]cyclopentane-1-carboxylate (PubChem CID 129439843) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is ethyl (1R)-2-[(4-chlorobenzoyl)hydrazinylidene]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R)-2-[(4-chlorobenzoyl)hydrazinylidene]cyclopentane-1-carboxylate
PubChem CID129439843
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Nameethyl (1R)-2-[(4-chlorobenzoyl)hydrazinylidene]cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCCC1=NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O3/c1-2-21-15(20)12-4-3-5-13(12)17-18-14(19)10-6-8-11(16)9-7-10/h6-9,12H,2-5H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyOVCDVGVNXIYETR-GFCCVEGCSA-N
XLogP2.79
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 52.79
H-Bond Donors ≤ 51
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 (2E)-2-(phenylcarbamoylhydrazinylidene)cyclopentane-1-carboxylate
CID 134123544
4-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide
CID 5062315
ethyl (2E)-2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]cyclopentane-1-carboxylate
CID 6117341
4-ethoxy-N-[(E)-(2-methylcyclohexylidene)amino]benzamide
CID 6381697
N-[(Z)-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-4-chlorobenzamide
CID 9060188
N-[(4-ethylcyclohexylidene)amino]-4-methylbenzamide
CID 3680636
4-chloro-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
CID 9060236
4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide
CID 162787095
4-ethoxy-N-[(4-propylcyclohexylidene)amino]benzamide
CID 4109635
ethyl (2R)-3-[(4-chlorobenzoyl)hydrazinylidene]-2-ethylbutanoate
CID 129460363
ethyl (7R)-2-[(4-chlorobenzoyl)amino]-7-hydroxy-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1115383
ethyl 3-[(4-chlorobenzoyl)amino]-4-cyclopropyl-1H-pyrazole-5-carboxylate
CID 138012627

Frequently Asked Questions

What is the IUPAC name of ethyl (1R)-2-[(4-chlorobenzoyl)hydrazinylidene]cyclopentane-1-carboxylate?
The IUPAC name of ethyl (1R)-2-[(4-chlorobenzoyl)hydrazinylidene]cyclopentane-1-carboxylate (CID 129439843) is ethyl (1R)-2-[(4-chlorobenzoyl)hydrazinylidene]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (1R)-2-[(4-chlorobenzoyl)hydrazinylidene]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl (1R)-2-[(4-chlorobenzoyl)hydrazinylidene]cyclopentane-1-carboxylate is CCOC(=O)[C@@H]1CCCC1=NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of ethyl (1R)-2-[(4-chlorobenzoyl)hydrazinylidene]cyclopentane-1-carboxylate?
The InChIKey is OVCDVGVNXIYETR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-2-21-15(20)12-4-3-5-13(12)17-18-14(19)10-6-8-11(16)9-7-10/h6-9,12H,2-5H2,1H3,(H,18,19)/t12-/m1/s1.
What are the key properties of ethyl (1R)-2-[(4-chlorobenzoyl)hydrazinylidene]cyclopentane-1-carboxylate?
ethyl (1R)-2-[(4-chlorobenzoyl)hydrazinylidene]cyclopentane-1-carboxylate has a molecular weight of 308.76 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R)-2-[(4-chlorobenzoyl)hydrazinylidene]cyclopentane-1-carboxylate is sourced from PubChem (CID 129439843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).