ethyl 2-(dimethylhydrazinylidene)cyclopentane-1-carboxylate

C10H18N2O2 — CID 69063730

IUPACethyl 2-(dimethylhydrazinylidene)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCCC1=NN(C)C
InChIInChI=1S/C10H18N2O2/c1-4-14-10(13)8-6-5-7-9(8)11-12(2)3/h8H,4-7H2,1-3H3
InChIKeyRHPUVCWQWHFEIQ-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.27
Rot. Bonds3

About ethyl 2-(dimethylhydrazinylidene)cyclopentane-1-carboxylate

ethyl 2-(dimethylhydrazinylidene)cyclopentane-1-carboxylate (PubChem CID 69063730) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is ethyl 2-(dimethylhydrazinylidene)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(dimethylhydrazinylidene)cyclopentane-1-carboxylate
PubChem CID69063730
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameethyl 2-(dimethylhydrazinylidene)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCCC1=NN(C)C
InChIInChI=1S/C10H18N2O2/c1-4-14-10(13)8-6-5-7-9(8)11-12(2)3/h8H,4-7H2,1-3H3
InChIKeyRHPUVCWQWHFEIQ-UHFFFAOYSA-N
XLogP1.27
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.27
H-Bond Donors ≤ 50
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

CID 9601590
CID 9601590
CID 12399146
CID 12399146
CID 13637917
CID 13637917
CID 22170533
CID 22170533
CID 53809408
CID 53809408
CID 71185353
CID 71185353
CID 87677955
CID 87677955
CID 89146636
CID 89146636
CID 90768335
CID 90768335
CID 90901173
CID 90901173
CID 90959351
CID 90959351
CID 91103134
CID 91103134

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dimethylhydrazinylidene)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-(dimethylhydrazinylidene)cyclopentane-1-carboxylate (CID 69063730) is ethyl 2-(dimethylhydrazinylidene)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-(dimethylhydrazinylidene)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-(dimethylhydrazinylidene)cyclopentane-1-carboxylate is CCOC(=O)C1CCCC1=NN(C)C.
What is the InChIKey of ethyl 2-(dimethylhydrazinylidene)cyclopentane-1-carboxylate?
The InChIKey is RHPUVCWQWHFEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-14-10(13)8-6-5-7-9(8)11-12(2)3/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(dimethylhydrazinylidene)cyclopentane-1-carboxylate?
ethyl 2-(dimethylhydrazinylidene)cyclopentane-1-carboxylate has a molecular weight of 198.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dimethylhydrazinylidene)cyclopentane-1-carboxylate is sourced from PubChem (CID 69063730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).