dimethyl (Z)-2-(furan-2-ylmethylamino)but-2-enedioate

C11H13NO5 — CID 10977524

IUPACdimethyl (Z)-2-(furan-2-ylmethylamino)but-2-enedioate
SMILESCOC(=O)/C=C(\NCc1ccco1)C(=O)OC
InChIInChI=1S/C11H13NO5/c1-15-10(13)6-9(11(14)16-2)12-7-8-4-3-5-17-8/h3-6,12H,7H2,1-2H3/b9-6-
InChIKeySFGPWJTZHDKILR-TWGQIWQCSA-N
MW239.23 g/mol
LogP0.60
Rot. Bonds5

About dimethyl (Z)-2-(furan-2-ylmethylamino)but-2-enedioate

dimethyl (Z)-2-(furan-2-ylmethylamino)but-2-enedioate (PubChem CID 10977524) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is dimethyl (Z)-2-(furan-2-ylmethylamino)but-2-enedioate.

Molecular Properties

Compound Namedimethyl (Z)-2-(furan-2-ylmethylamino)but-2-enedioate
PubChem CID10977524
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Namedimethyl (Z)-2-(furan-2-ylmethylamino)but-2-enedioate
SMILESCOC(=O)/C=C(\NCc1ccco1)C(=O)OC
InChIInChI=1S/C11H13NO5/c1-15-10(13)6-9(11(14)16-2)12-7-8-4-3-5-17-8/h3-6,12H,7H2,1-2H3/b9-6-
InChIKeySFGPWJTZHDKILR-TWGQIWQCSA-N
XLogP0.60
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dimethyl (E)-2-(furan-2-ylmethylamino)but-2-enedioate
CID 11053736
N-(furan-2-ylmethyl)acetamide
CID 2394850
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583
methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate
CID 4265713
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
2-bromo-N-(furan-2-ylmethyl)butanamide
CID 25219706
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
4-amino-N-(furan-2-ylmethyl)-3-methoxybutanamide
CID 103154043
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide
CID 94272659
N'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide
CID 108943248

Frequently Asked Questions

What is the IUPAC name of dimethyl (Z)-2-(furan-2-ylmethylamino)but-2-enedioate?
The IUPAC name of dimethyl (Z)-2-(furan-2-ylmethylamino)but-2-enedioate (CID 10977524) is dimethyl (Z)-2-(furan-2-ylmethylamino)but-2-enedioate.
What is the SMILES notation for dimethyl (Z)-2-(furan-2-ylmethylamino)but-2-enedioate?
The canonical SMILES for dimethyl (Z)-2-(furan-2-ylmethylamino)but-2-enedioate is COC(=O)/C=C(\NCc1ccco1)C(=O)OC.
What is the InChIKey of dimethyl (Z)-2-(furan-2-ylmethylamino)but-2-enedioate?
The InChIKey is SFGPWJTZHDKILR-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H13NO5/c1-15-10(13)6-9(11(14)16-2)12-7-8-4-3-5-17-8/h3-6,12H,7H2,1-2H3/b9-6-.
What are the key properties of dimethyl (Z)-2-(furan-2-ylmethylamino)but-2-enedioate?
dimethyl (Z)-2-(furan-2-ylmethylamino)but-2-enedioate has a molecular weight of 239.23 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (Z)-2-(furan-2-ylmethylamino)but-2-enedioate is sourced from PubChem (CID 10977524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).