ethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride

C8H14ClNO2 — CID 23508762

IUPACethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1C=CC(N)C1.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-2-11-8(10)6-3-4-7(9)5-6;/h3-4,6-7H,2,5,9H2,1H3;1H
InChIKeySWIYMAACNLUXMY-UHFFFAOYSA-N
MW191.66 g/mol
LogP0.87
Rot. Bonds2

About ethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride

ethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride (PubChem CID 23508762) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is ethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride
PubChem CID23508762
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Nameethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1C=CC(N)C1.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-2-11-8(10)6-3-4-7(9)5-6;/h3-4,6-7H,2,5,9H2,1H3;1H
InChIKeySWIYMAACNLUXMY-UHFFFAOYSA-N
XLogP0.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate
CID 45090189
methyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride
CID 18538082
methyl (1S)-4-aminocyclopent-2-ene-1-carboxylate
CID 89349898
2-propoxyethyl 4-aminocyclopent-2-ene-1-carboxylate
CID 79210072
4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide
CID 79211003
4-amino-N-ethylcyclopent-2-ene-1-carboxamide
CID 79211546
4-amino-N-ethyl-N-propan-2-ylcyclopent-2-ene-1-carboxamide
CID 79211082
(1S,4R)-2-azabicyclo[2.2.1]hept-5-en-3-one;methyl (1R,4S)-4-aminocyclopent-2-ene-1-carboxylate;hydrochloride
CID 159849973
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
4-amino-N-cyclohexyl-N-ethylcyclopent-2-ene-1-carboxamide
CID 79211073
ethyl 2,3-dihydrothiophene-3-carboxylate
CID 13430681
ethyl (1R)-cyclohexa-2,4-diene-1-carboxylate
CID 142951121

Frequently Asked Questions

What is the IUPAC name of ethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride (CID 23508762) is ethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride is CCOC(=O)C1C=CC(N)C1.Cl.
What is the InChIKey of ethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride?
The InChIKey is SWIYMAACNLUXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c1-2-11-8(10)6-3-4-7(9)5-6;/h3-4,6-7H,2,5,9H2,1H3;1H.
What are the key properties of ethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride?
ethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride is sourced from PubChem (CID 23508762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).