methyl (Z)-2-(furan-2-carbonylamino)but-2-enoate

C10H11NO4 — CID 102388440

IUPACmethyl (Z)-2-(furan-2-carbonylamino)but-2-enoate
SMILESC/C=C(\NC(=O)c1ccco1)C(=O)OC
InChIInChI=1S/C10H11NO4/c1-3-7(10(13)14-2)11-9(12)8-5-4-6-15-8/h3-6H,1-2H3,(H,11,12)/b7-3-
InChIKeyBOZUIPJHQKRKOC-CLTKARDFSA-N
MW209.20 g/mol
LogP1.09
Rot. Bonds3

About methyl (Z)-2-(furan-2-carbonylamino)but-2-enoate

methyl (Z)-2-(furan-2-carbonylamino)but-2-enoate (PubChem CID 102388440) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is methyl (Z)-2-(furan-2-carbonylamino)but-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-(furan-2-carbonylamino)but-2-enoate
PubChem CID102388440
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Namemethyl (Z)-2-(furan-2-carbonylamino)but-2-enoate
SMILESC/C=C(\NC(=O)c1ccco1)C(=O)OC
InChIInChI=1S/C10H11NO4/c1-3-7(10(13)14-2)11-9(12)8-5-4-6-15-8/h3-6H,1-2H3,(H,11,12)/b7-3-
InChIKeyBOZUIPJHQKRKOC-CLTKARDFSA-N
XLogP1.09
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (Z)-2-(furan-2-carbonylamino)-3-(4-methoxyphenyl)prop-2-enoate
CID 2180781
methyl (E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate
CID 5415762
methyl 2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate
CID 887235
N-(ethylcarbamoyl)furan-2-carboxamide
CID 131178690
propyl 2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate
CID 3812592
methyl N-(furan-2-carbonylamino)carbamate
CID 909545
N-[(E)-prop-1-enyl]furan-2-carboxamide
CID 131242879
N-[3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 2885104
N-[(E)-3-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5338409
N-(2-hydroxy-2-methylpropanoyl)furan-2-carboxamide
CID 174420359
methyl (2Z)-2-(furan-2-yl)-2-hydroxyiminoacetate
CID 87793315
N-[1-(3,4-dimethoxyphenyl)-3-(dimethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 3926745

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-(furan-2-carbonylamino)but-2-enoate?
The IUPAC name of methyl (Z)-2-(furan-2-carbonylamino)but-2-enoate (CID 102388440) is methyl (Z)-2-(furan-2-carbonylamino)but-2-enoate.
What is the SMILES notation for methyl (Z)-2-(furan-2-carbonylamino)but-2-enoate?
The canonical SMILES for methyl (Z)-2-(furan-2-carbonylamino)but-2-enoate is C/C=C(\NC(=O)c1ccco1)C(=O)OC.
What is the InChIKey of methyl (Z)-2-(furan-2-carbonylamino)but-2-enoate?
The InChIKey is BOZUIPJHQKRKOC-CLTKARDFSA-N. The full InChI is InChI=1S/C10H11NO4/c1-3-7(10(13)14-2)11-9(12)8-5-4-6-15-8/h3-6H,1-2H3,(H,11,12)/b7-3-.
What are the key properties of methyl (Z)-2-(furan-2-carbonylamino)but-2-enoate?
methyl (Z)-2-(furan-2-carbonylamino)but-2-enoate has a molecular weight of 209.20 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-(furan-2-carbonylamino)but-2-enoate is sourced from PubChem (CID 102388440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).