ethyl 5-imino-2,2-dimethylcyclopentane-1-carboxylate

C10H17NO2 — CID 91419376

IUPACethyl 5-imino-2,2-dimethylcyclopentane-1-carboxylate
SMILES[H]/N=C1\CCC(C)(C)C1C(=O)OCC
InChIInChI=1S/C10H17NO2/c1-4-13-9(12)8-7(11)5-6-10(8,2)3/h8,11H,4-6H2,1-3H3/b11-7+
InChIKeyAAYDTCLXORWUTE-YRNVUSSQSA-N
MW183.25 g/mol
LogP2.01
Rot. Bonds2

About ethyl 5-imino-2,2-dimethylcyclopentane-1-carboxylate

ethyl 5-imino-2,2-dimethylcyclopentane-1-carboxylate (PubChem CID 91419376) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl 5-imino-2,2-dimethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-imino-2,2-dimethylcyclopentane-1-carboxylate
PubChem CID91419376
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl 5-imino-2,2-dimethylcyclopentane-1-carboxylate
SMILES[H]/N=C1\CCC(C)(C)C1C(=O)OCC
InChIInChI=1S/C10H17NO2/c1-4-13-9(12)8-7(11)5-6-10(8,2)3/h8,11H,4-6H2,1-3H3/b11-7+
InChIKeyAAYDTCLXORWUTE-YRNVUSSQSA-N
XLogP2.01
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-imino-2,2-dimethylcyclopentane-1-carboxylate?
The IUPAC name of ethyl 5-imino-2,2-dimethylcyclopentane-1-carboxylate (CID 91419376) is ethyl 5-imino-2,2-dimethylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 5-imino-2,2-dimethylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl 5-imino-2,2-dimethylcyclopentane-1-carboxylate is [H]/N=C1\CCC(C)(C)C1C(=O)OCC.
What is the InChIKey of ethyl 5-imino-2,2-dimethylcyclopentane-1-carboxylate?
The InChIKey is AAYDTCLXORWUTE-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-13-9(12)8-7(11)5-6-10(8,2)3/h8,11H,4-6H2,1-3H3/b11-7+.
What are the key properties of ethyl 5-imino-2,2-dimethylcyclopentane-1-carboxylate?
ethyl 5-imino-2,2-dimethylcyclopentane-1-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-imino-2,2-dimethylcyclopentane-1-carboxylate is sourced from PubChem (CID 91419376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).