ethyl 2-propan-2-yliminocyclopentane-1-carboxylate

C11H19NO2 — CID 90901173

IUPACethyl 2-propan-2-yliminocyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC/C1=N\C(C)C
InChIInChI=1S/C11H19NO2/c1-4-14-11(13)9-6-5-7-10(9)12-8(2)3/h8-9H,4-7H2,1-3H3/b12-10+
InChIKeyWJUMYZOCITVCFF-ZRDIBKRKSA-N
MW197.28 g/mol
LogP2.20
Rot. Bonds3

About ethyl 2-propan-2-yliminocyclopentane-1-carboxylate

ethyl 2-propan-2-yliminocyclopentane-1-carboxylate (PubChem CID 90901173) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethyl 2-propan-2-yliminocyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-propan-2-yliminocyclopentane-1-carboxylate
PubChem CID90901173
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethyl 2-propan-2-yliminocyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC/C1=N\C(C)C
InChIInChI=1S/C11H19NO2/c1-4-14-11(13)9-6-5-7-10(9)12-8(2)3/h8-9H,4-7H2,1-3H3/b12-10+
InChIKeyWJUMYZOCITVCFF-ZRDIBKRKSA-N
XLogP2.20
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-methyliminocyclopentane-1-carboxylate
CID 12399146
ethyl (2E)-2-(dimethylhydrazinylidene)cyclopentane-1-carboxylate
CID 13637917
Ethyl 2-iminocyclopentanecarboxylate
CID 23344256
Ethyl 2-methyl-3-methyliminopentanoate
CID 56980856
Ethyl 2-(2,2-dimethylhydrazono)cyclopentanecarboxylate
CID 69063730
Ethyl 2-methoxyiminocyclopentane-1-carboxylate
CID 86168958
ethyl (2Z)-2-(dimethylhydrazinylidene)cyclopentane-1-carboxylate
CID 87677955
Ethyl 2-ethyliminocyclopentane-1-carboxylate
CID 90768335
Ethyl 2-(3-methylbutylimino)cyclopentane-1-carboxylate
CID 90959351
Ethyl 2-[2-(dimethylamino)ethylimino]cyclopentane-1-carboxylate
CID 91103134
Ethyl 4-ethylimino-2-methylpentanoate
CID 91303916
Ethyl 2-(3,3-dimethylbutylimino)cyclopentane-1-carboxylate
CID 91391939

Frequently Asked Questions

What is the IUPAC name of ethyl 2-propan-2-yliminocyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-propan-2-yliminocyclopentane-1-carboxylate (CID 90901173) is ethyl 2-propan-2-yliminocyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-propan-2-yliminocyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-propan-2-yliminocyclopentane-1-carboxylate is CCOC(=O)C1CCC/C1=N\C(C)C.
What is the InChIKey of ethyl 2-propan-2-yliminocyclopentane-1-carboxylate?
The InChIKey is WJUMYZOCITVCFF-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-14-11(13)9-6-5-7-10(9)12-8(2)3/h8-9H,4-7H2,1-3H3/b12-10+.
What are the key properties of ethyl 2-propan-2-yliminocyclopentane-1-carboxylate?
ethyl 2-propan-2-yliminocyclopentane-1-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-propan-2-yliminocyclopentane-1-carboxylate is sourced from PubChem (CID 90901173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).