methyl (Z)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate

C13H11NO5 — CID 2179135

IUPACmethyl (Z)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate
SMILESCOC(=O)/C(=C/c1ccco1)NC(=O)c1ccco1
InChIInChI=1S/C13H11NO5/c1-17-13(16)10(8-9-4-2-6-18-9)14-12(15)11-5-3-7-19-11/h2-8H,1H3,(H,14,15)/b10-8-
InChIKeyBYESIPIWRHJDKR-NTMALXAHSA-N
MW261.23 g/mol
LogP1.82
Rot. Bonds4

About methyl (Z)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate

methyl (Z)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate (PubChem CID 2179135) has the molecular formula C13H11NO5 and a molecular weight of 261.23 g/mol. Its IUPAC name is methyl (Z)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate
PubChem CID2179135
Molecular FormulaC13H11NO5
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Namemethyl (Z)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate
SMILESCOC(=O)/C(=C/c1ccco1)NC(=O)c1ccco1
InChIInChI=1S/C13H11NO5/c1-17-13(16)10(8-9-4-2-6-18-9)14-12(15)11-5-3-7-19-11/h2-8H,1H3,(H,14,15)/b10-8-
InChIKeyBYESIPIWRHJDKR-NTMALXAHSA-N
XLogP1.82
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of methyl (Z)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate (CID 2179135) is methyl (Z)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate is COC(=O)/C(=C/c1ccco1)NC(=O)c1ccco1.
What is the InChIKey of methyl (Z)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is BYESIPIWRHJDKR-NTMALXAHSA-N. The full InChI is InChI=1S/C13H11NO5/c1-17-13(16)10(8-9-4-2-6-18-9)14-12(15)11-5-3-7-19-11/h2-8H,1H3,(H,14,15)/b10-8-.
What are the key properties of methyl (Z)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate?
methyl (Z)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 261.23 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 2179135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).