ethyl (E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate

C15H18N2O3 — CID 798030

IUPACethyl (E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate
SMILESCCOC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)o1
InChIInChI=1S/C15H18N2O3/c1-2-19-15(18)12(11-16)10-13-6-7-14(20-13)17-8-4-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3/b12-10+
InChIKeyLJWSCHIRMKEEEE-ZRDIBKRKSA-N
MW274.32 g/mol
LogP2.74
Rot. Bonds4

About ethyl (E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate

ethyl (E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate (PubChem CID 798030) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl (E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate
PubChem CID798030
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameethyl (E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate
SMILESCCOC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)o1
InChIInChI=1S/C15H18N2O3/c1-2-19-15(18)12(11-16)10-13-6-7-14(20-13)17-8-4-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3/b12-10+
InChIKeyLJWSCHIRMKEEEE-ZRDIBKRKSA-N
XLogP2.74
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_B(2)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate (CID 798030) is ethyl (E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate is CCOC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)o1.
What is the InChIKey of ethyl (E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate?
The InChIKey is LJWSCHIRMKEEEE-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-19-15(18)12(11-16)10-13-6-7-14(20-13)17-8-4-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3/b12-10+.
What are the key properties of ethyl (E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate?
ethyl (E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate has a molecular weight of 274.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate is sourced from PubChem (CID 798030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).