ethyl 2-methyl-5-methyliminocyclopentane-1-carboxylate

C10H17NO2 — CID 123898093

IUPACethyl 2-methyl-5-methyliminocyclopentane-1-carboxylate
SMILESCCOC(=O)C1/C(=N/C)CCC1C
InChIInChI=1S/C10H17NO2/c1-4-13-10(12)9-7(2)5-6-8(9)11-3/h7,9H,4-6H2,1-3H3/b11-8+
InChIKeyGRKFTHPXBCGTJM-DHZHZOJOSA-N
MW183.25 g/mol
LogP1.67
Rot. Bonds2

About ethyl 2-methyl-5-methyliminocyclopentane-1-carboxylate

ethyl 2-methyl-5-methyliminocyclopentane-1-carboxylate (PubChem CID 123898093) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl 2-methyl-5-methyliminocyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-methyliminocyclopentane-1-carboxylate
PubChem CID123898093
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl 2-methyl-5-methyliminocyclopentane-1-carboxylate
SMILESCCOC(=O)C1/C(=N/C)CCC1C
InChIInChI=1S/C10H17NO2/c1-4-13-10(12)9-7(2)5-6-8(9)11-3/h7,9H,4-6H2,1-3H3/b11-8+
InChIKeyGRKFTHPXBCGTJM-DHZHZOJOSA-N
XLogP1.67
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.67
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-(hydroxyimino)cyclopentyl]acetate
CID 6393794
Ethyl 2-methyliminocyclopentane-1-carboxylate
CID 12399146
Ethyl 3-cyclopentyl-3-iminopropanoate
CID 57069512
Ethyl 2-hydroxyiminocyclopentanepropionate
CID 85618482
Ethyl 3-methoxyimino-4,5-dimethylheptanoate
CID 86074424
(4R,5R)-3-Methoxyimino-4,5-dimethyl-heptanoic Acid Ethyl Ester
CID 86597963
ethyl (3Z,4R,5R)-3-methoxyimino-4,5-dimethylheptanoate
CID 87672856
ethyl 3-[(2Z)-2-hydroxyiminocyclopentyl]propanoate
CID 88025195
Ethyl 2-ethyliminocyclopentane-1-carboxylate
CID 90768335
Methyl 2-ethyl-5-iminocyclopentane-1-carboxylate
CID 90873455
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-methyl-5-methyliminocyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-methyl-5-methyliminocyclopentane-1-carboxylate (CID 123898093) is ethyl 2-methyl-5-methyliminocyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-methyliminocyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-methyliminocyclopentane-1-carboxylate is CCOC(=O)C1/C(=N/C)CCC1C.
What is the InChIKey of ethyl 2-methyl-5-methyliminocyclopentane-1-carboxylate?
The InChIKey is GRKFTHPXBCGTJM-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-13-10(12)9-7(2)5-6-8(9)11-3/h7,9H,4-6H2,1-3H3/b11-8+.
What are the key properties of ethyl 2-methyl-5-methyliminocyclopentane-1-carboxylate?
ethyl 2-methyl-5-methyliminocyclopentane-1-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-methyliminocyclopentane-1-carboxylate is sourced from PubChem (CID 123898093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).