ethyl (E)-3-(2-aminocyclopenten-1-yl)-2-cyanoprop-2-enoate

C11H14N2O2 — CID 13194075

IUPACethyl (E)-3-(2-aminocyclopenten-1-yl)-2-cyanoprop-2-enoate
SMILESCCOC(=O)/C(C#N)=C/C1=C(N)CCC1
InChIInChI=1S/C11H14N2O2/c1-2-15-11(14)9(7-12)6-8-4-3-5-10(8)13/h6H,2-5,13H2,1H3/b9-6+
InChIKeyMBGPMINVMFNZDY-RMKNXTFCSA-N
MW206.24 g/mol
LogP1.40
Rot. Bonds3

About ethyl (E)-3-(2-aminocyclopenten-1-yl)-2-cyanoprop-2-enoate

ethyl (E)-3-(2-aminocyclopenten-1-yl)-2-cyanoprop-2-enoate (PubChem CID 13194075) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethyl (E)-3-(2-aminocyclopenten-1-yl)-2-cyanoprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(2-aminocyclopenten-1-yl)-2-cyanoprop-2-enoate
PubChem CID13194075
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Nameethyl (E)-3-(2-aminocyclopenten-1-yl)-2-cyanoprop-2-enoate
SMILESCCOC(=O)/C(C#N)=C/C1=C(N)CCC1
InChIInChI=1S/C11H14N2O2/c1-2-15-11(14)9(7-12)6-8-4-3-5-10(8)13/h6H,2-5,13H2,1H3/b9-6+
InChIKeyMBGPMINVMFNZDY-RMKNXTFCSA-N
XLogP1.40
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-(4-amino-6,6-dimethyl-2,5-dihydropyran-3-yl)-2-cyanoprop-2-enoate
CID 755431
ethyl (Z)-3-(4-aminophenyl)-2-cyanoprop-2-enoate
CID 2307363
ethyl (E)-2-cyano-3-cyclopenta-1,3-dien-1-ylprop-2-enoate
CID 153334352
ethyl (E)-2-cyano-3-(3,4,5-trimethyl-1H-pyrrol-2-yl)prop-2-enoate
CID 5387573
ethyl 2-cyano-3-(2,3,5,6-tetramethylphenyl)prop-2-enoate
CID 678466
ethyl (E)-2-cyano-3-[4-[[2-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]anilino]-2-oxoacetyl]amino]phenyl]prop-2-enoate
CID 6304333
ethyl (Z)-2-cyano-3-(4-ethylphenyl)prop-2-enoate
CID 6379099
ethyl (E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 764048
ethyl (Z)-2-cyano-3-(1-methylcyclopropyl)prop-2-enoate
CID 68868890
ethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5337852
ethyl 2-cyano-3-(2-methylthiophen-3-yl)prop-2-enoate
CID 3381600
ethyl (E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoate
CID 6515913

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(2-aminocyclopenten-1-yl)-2-cyanoprop-2-enoate?
The IUPAC name of ethyl (E)-3-(2-aminocyclopenten-1-yl)-2-cyanoprop-2-enoate (CID 13194075) is ethyl (E)-3-(2-aminocyclopenten-1-yl)-2-cyanoprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(2-aminocyclopenten-1-yl)-2-cyanoprop-2-enoate?
The canonical SMILES for ethyl (E)-3-(2-aminocyclopenten-1-yl)-2-cyanoprop-2-enoate is CCOC(=O)/C(C#N)=C/C1=C(N)CCC1.
What is the InChIKey of ethyl (E)-3-(2-aminocyclopenten-1-yl)-2-cyanoprop-2-enoate?
The InChIKey is MBGPMINVMFNZDY-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-15-11(14)9(7-12)6-8-4-3-5-10(8)13/h6H,2-5,13H2,1H3/b9-6+.
What are the key properties of ethyl (E)-3-(2-aminocyclopenten-1-yl)-2-cyanoprop-2-enoate?
ethyl (E)-3-(2-aminocyclopenten-1-yl)-2-cyanoprop-2-enoate has a molecular weight of 206.24 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(2-aminocyclopenten-1-yl)-2-cyanoprop-2-enoate is sourced from PubChem (CID 13194075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).