ethyl cyclopent-2-ene-1-carboximidate

C8H13NO — CID 141103941

IUPACethyl cyclopent-2-ene-1-carboximidate
SMILES[H]/N=C(\OCC)C1C=CCC1
InChIInChI=1S/C8H13NO/c1-2-10-8(9)7-5-3-4-6-7/h3,5,7,9H,2,4,6H2,1H3/b9-8-
InChIKeyONBIRUOVFVYNKB-HJWRWDBZSA-N
MW139.20 g/mol
LogP1.97
Rot. Bonds2

About ethyl cyclopent-2-ene-1-carboximidate

ethyl cyclopent-2-ene-1-carboximidate (PubChem CID 141103941) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is ethyl cyclopent-2-ene-1-carboximidate.

Molecular Properties

Compound Nameethyl cyclopent-2-ene-1-carboximidate
PubChem CID141103941
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Nameethyl cyclopent-2-ene-1-carboximidate
SMILES[H]/N=C(\OCC)C1C=CCC1
InChIInChI=1S/C8H13NO/c1-2-10-8(9)7-5-3-4-6-7/h3,5,7,9H,2,4,6H2,1H3/b9-8-
InChIKeyONBIRUOVFVYNKB-HJWRWDBZSA-N
XLogP1.97
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.97
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl cyclopentanecarboximidate
CID 11412691
ethyl thietane-3-carboximidate
CID 84649051
3-[(E)-pent-2-en-3-yl]cyclopentene
CID 171069296
cis-ethyl (1S,2R)-2-(C-ethoxycarbonimidoyl)cyclopropane-1-carboxylate
CID 138040639
cyanomethyl cyclopent-2-ene-1-carboxylate
CID 167484011
ethyl bicyclo[6.1.0]non-4-ene-9-carboxylate
CID 77425654
1-cyclopent-2-en-1-ylethanone
CID 12714402
ethyl 2-cyclopent-2-en-1-yloxyacetate
CID 142141236
ethyl 1,5-diazabicyclo[3.2.2]nonane-6-carboximidate
CID 130933680
ethyl (1S,4R)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 11062780
ethyl 6-carbamoylcyclohex-2-ene-1-carboxylate
CID 54124837
1-ethoxy-4-methylcyclohexane-1-carboximidamide
CID 116740221

Frequently Asked Questions

What is the IUPAC name of ethyl cyclopent-2-ene-1-carboximidate?
The IUPAC name of ethyl cyclopent-2-ene-1-carboximidate (CID 141103941) is ethyl cyclopent-2-ene-1-carboximidate.
What is the SMILES notation for ethyl cyclopent-2-ene-1-carboximidate?
The canonical SMILES for ethyl cyclopent-2-ene-1-carboximidate is [H]/N=C(\OCC)C1C=CCC1.
What is the InChIKey of ethyl cyclopent-2-ene-1-carboximidate?
The InChIKey is ONBIRUOVFVYNKB-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-10-8(9)7-5-3-4-6-7/h3,5,7,9H,2,4,6H2,1H3/b9-8-.
What are the key properties of ethyl cyclopent-2-ene-1-carboximidate?
ethyl cyclopent-2-ene-1-carboximidate has a molecular weight of 139.20 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl cyclopent-2-ene-1-carboximidate is sourced from PubChem (CID 141103941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).