ethyl (Z)-2-cyano-3-(furan-2-carbonylamino)prop-2-enoate

C11H10N2O4 — CID 2942084

IUPACethyl (Z)-2-cyano-3-(furan-2-carbonylamino)prop-2-enoate
SMILESCCOC(=O)/C(C#N)=C\NC(=O)c1ccco1
InChIInChI=1S/C11H10N2O4/c1-2-16-11(15)8(6-12)7-13-10(14)9-4-3-5-17-9/h3-5,7H,2H2,1H3,(H,13,14)/b8-7-
InChIKeyHKYRWDFWONJEBX-FPLPWBNLSA-N
MW234.21 g/mol
LogP0.98
Rot. Bonds4

About ethyl (Z)-2-cyano-3-(furan-2-carbonylamino)prop-2-enoate

ethyl (Z)-2-cyano-3-(furan-2-carbonylamino)prop-2-enoate (PubChem CID 2942084) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is ethyl (Z)-2-cyano-3-(furan-2-carbonylamino)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-cyano-3-(furan-2-carbonylamino)prop-2-enoate
PubChem CID2942084
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Nameethyl (Z)-2-cyano-3-(furan-2-carbonylamino)prop-2-enoate
SMILESCCOC(=O)/C(C#N)=C\NC(=O)c1ccco1
InChIInChI=1S/C11H10N2O4/c1-2-16-11(15)8(6-12)7-13-10(14)9-4-3-5-17-9/h3-5,7H,2H2,1H3,(H,13,14)/b8-7-
InChIKeyHKYRWDFWONJEBX-FPLPWBNLSA-N
XLogP0.98
TPSA92.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-2-cyano-3-[(4-methylbenzoyl)amino]prop-2-enoate
CID 35580175
ethyl (E)-2-cyano-4-(furan-2-yl)but-2-enoate
CID 14063709
ethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5337852
ethyl 2-cyano-3-(2,6-dimethylanilino)prop-2-enoate
CID 70458010
ethyl (E)-3-(2-carbamothioylhydrazinyl)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 134934650
ethyl (E)-3-(4-aminoanilino)-2-cyanoprop-2-enoate
CID 13010812
ethyl (E)-2-cyano-3-[(6-methyl-2-pyridinyl)amino]prop-2-enoate
CID 8811343
ethyl (E)-2-cyano-3-[2-(4-ethylbenzoyl)hydrazinyl]prop-2-enoate
CID 8812060
ethyl (Z)-2-cyano-3-(4-ethoxyanilino)prop-2-enoate
CID 23722954
ethyl (E)-2-cyano-3-(4-phenoxyanilino)prop-2-enoate
CID 17154952
ethyl (Z)-2-cyano-3-(2,3-dichloroanilino)prop-2-enoate
CID 41386519
ethyl (E)-2-cyano-3-[3-(propan-2-ylcarbamoyl)anilino]prop-2-enoate
CID 17197549

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-cyano-3-(furan-2-carbonylamino)prop-2-enoate?
The IUPAC name of ethyl (Z)-2-cyano-3-(furan-2-carbonylamino)prop-2-enoate (CID 2942084) is ethyl (Z)-2-cyano-3-(furan-2-carbonylamino)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-cyano-3-(furan-2-carbonylamino)prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-cyano-3-(furan-2-carbonylamino)prop-2-enoate is CCOC(=O)/C(C#N)=C\NC(=O)c1ccco1.
What is the InChIKey of ethyl (Z)-2-cyano-3-(furan-2-carbonylamino)prop-2-enoate?
The InChIKey is HKYRWDFWONJEBX-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-2-16-11(15)8(6-12)7-13-10(14)9-4-3-5-17-9/h3-5,7H,2H2,1H3,(H,13,14)/b8-7-.
What are the key properties of ethyl (Z)-2-cyano-3-(furan-2-carbonylamino)prop-2-enoate?
ethyl (Z)-2-cyano-3-(furan-2-carbonylamino)prop-2-enoate has a molecular weight of 234.21 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-cyano-3-(furan-2-carbonylamino)prop-2-enoate is sourced from PubChem (CID 2942084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).