ethyl cyclopentanecarboximidate

C8H15NO — CID 11412691

IUPACethyl cyclopentanecarboximidate
SMILES[H]/N=C(\OCC)C1CCCC1
InChIInChI=1S/C8H15NO/c1-2-10-8(9)7-5-3-4-6-7/h7,9H,2-6H2,1H3/b9-8-
InChIKeyWECYHPUCTSHISD-HJWRWDBZSA-N
MW141.21 g/mol
LogP2.19
Rot. Bonds2

About ethyl cyclopentanecarboximidate

ethyl cyclopentanecarboximidate (PubChem CID 11412691) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is ethyl cyclopentanecarboximidate.

Molecular Properties

Compound Nameethyl cyclopentanecarboximidate
PubChem CID11412691
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Nameethyl cyclopentanecarboximidate
SMILES[H]/N=C(\OCC)C1CCCC1
InChIInChI=1S/C8H15NO/c1-2-10-8(9)7-5-3-4-6-7/h7,9H,2-6H2,1H3/b9-8-
InChIKeyWECYHPUCTSHISD-HJWRWDBZSA-N
XLogP2.19
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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ethyl cyclohexanecarboxylate;hydrochloride
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methyl 3-ethylcyclohexane-1-carboximidate
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ethyl 1,5-diazabicyclo[3.2.2]nonane-6-carboximidate
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ethyl 4-(cyclobutanecarboximidoyl)benzoate
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1-cyclooctylethanimine
CID 142132470
1-cyclopentylhexan-1-imine
CID 91136727
N-cyclopentyl-N-ethylcyclohexanecarboximidamide
CID 63175660
ethyl (E)-3-cyclopentylbut-2-enoate
CID 89095864
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Frequently Asked Questions

What is the IUPAC name of ethyl cyclopentanecarboximidate?
The IUPAC name of ethyl cyclopentanecarboximidate (CID 11412691) is ethyl cyclopentanecarboximidate.
What is the SMILES notation for ethyl cyclopentanecarboximidate?
The canonical SMILES for ethyl cyclopentanecarboximidate is [H]/N=C(\OCC)C1CCCC1.
What is the InChIKey of ethyl cyclopentanecarboximidate?
The InChIKey is WECYHPUCTSHISD-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-10-8(9)7-5-3-4-6-7/h7,9H,2-6H2,1H3/b9-8-.
What are the key properties of ethyl cyclopentanecarboximidate?
ethyl cyclopentanecarboximidate has a molecular weight of 141.21 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl cyclopentanecarboximidate is sourced from PubChem (CID 11412691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).