ethyl 2-ethyliminocyclopentane-1-carboxylate

C10H17NO2 — CID 90768335

IUPACethyl 2-ethyliminocyclopentane-1-carboxylate
SMILESCC/N=C1\CCCC1C(=O)OCC
InChIInChI=1S/C10H17NO2/c1-3-11-9-7-5-6-8(9)10(12)13-4-2/h8H,3-7H2,1-2H3/b11-9+
InChIKeyYVMJXNYGQSRYEN-PKNBQFBNSA-N
MW183.25 g/mol
LogP1.81
Rot. Bonds3

About ethyl 2-ethyliminocyclopentane-1-carboxylate

ethyl 2-ethyliminocyclopentane-1-carboxylate (PubChem CID 90768335) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl 2-ethyliminocyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyliminocyclopentane-1-carboxylate
PubChem CID90768335
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl 2-ethyliminocyclopentane-1-carboxylate
SMILESCC/N=C1\CCCC1C(=O)OCC
InChIInChI=1S/C10H17NO2/c1-3-11-9-7-5-6-8(9)10(12)13-4-2/h8H,3-7H2,1-2H3/b11-9+
InChIKeyYVMJXNYGQSRYEN-PKNBQFBNSA-N
XLogP1.81
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.81
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
2-methyl-4-(2-methylpropyl)-2H-1,3-oxazol-5-one
CID 67880140
Ethyl 2-(2,2-dimethylhydrazono)cyclopentanecarboxylate
CID 69063730
ethyl 2-(3-methyl-5-propan-2-yl-4H-pyrazol-4-yl)acetate
CID 71185353
Ethyl 2-methoxyiminocyclopentane-1-carboxylate
CID 86168958
ethyl (2Z)-2-(dimethylhydrazinylidene)cyclopentane-1-carboxylate
CID 87677955
Propyl 3-hydroxyiminocyclopentane-1-carboxylate
CID 88833662
Ethyl 2-propan-2-yliminocyclopentane-1-carboxylate
CID 90901173
Ethyl 2-(3-methylbutylimino)cyclopentane-1-carboxylate
CID 90959351

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyliminocyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-ethyliminocyclopentane-1-carboxylate (CID 90768335) is ethyl 2-ethyliminocyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-ethyliminocyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-ethyliminocyclopentane-1-carboxylate is CC/N=C1\CCCC1C(=O)OCC.
What is the InChIKey of ethyl 2-ethyliminocyclopentane-1-carboxylate?
The InChIKey is YVMJXNYGQSRYEN-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-11-9-7-5-6-8(9)10(12)13-4-2/h8H,3-7H2,1-2H3/b11-9+.
What are the key properties of ethyl 2-ethyliminocyclopentane-1-carboxylate?
ethyl 2-ethyliminocyclopentane-1-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyliminocyclopentane-1-carboxylate is sourced from PubChem (CID 90768335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).