(Z)-but-2-enedioic acid;furan-2-carboxamide

C9H9NO6 — CID 161348796

IUPAC(Z)-but-2-enedioic acid;furan-2-carboxamide
SMILESNC(=O)c1ccco1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C5H5NO2.C4H4O4/c6-5(7)4-2-1-3-8-4;5-3(6)1-2-4(7)8/h1-3H,(H2,6,7);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyVNQVVCJVVRRHPD-BTJKTKAUSA-N
MW227.17 g/mol
LogP0.09
Rot. Bonds3

About (Z)-but-2-enedioic acid;furan-2-carboxamide

(Z)-but-2-enedioic acid;furan-2-carboxamide (PubChem CID 161348796) has the molecular formula C9H9NO6 and a molecular weight of 227.17 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;furan-2-carboxamide.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;furan-2-carboxamide
PubChem CID161348796
Molecular FormulaC9H9NO6
Molecular Weight227.17 g/mol
Exact Mass227.04
IUPAC Name(Z)-but-2-enedioic acid;furan-2-carboxamide
SMILESNC(=O)c1ccco1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C5H5NO2.C4H4O4/c6-5(7)4-2-1-3-8-4;5-3(6)1-2-4(7)8/h1-3H,(H2,6,7);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyVNQVVCJVVRRHPD-BTJKTKAUSA-N
XLogP0.09
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-but-2-enedioic acid;furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

furan-2-carboxamide;molecular hydrogen
CID 145259960
(E)-5-(furan-2-yl)-5-oxopent-2-enoic acid
CID 20529977
furan-2-carboxylic acid;methanamine
CID 82372767
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;silver
CID 87285311
furan-2-carboxylic acid;gold
CID 174701575
2-(furan-2-yl)-2-oxoacetamide;2-(furan-2-yl)-2-oxoacetic acid
CID 159366608
furan-2-carboxylic acid;methanol
CID 70611195
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
(Z)-4-(furan-2-ylmethoxy)-4-oxobut-2-enoic acid
CID 13045444
furan-2-yl(phosphanyl)methanone
CID 151549332
(Z)-3-(furan-2-yl)pent-2-enoic acid
CID 62632161

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;furan-2-carboxamide?
The IUPAC name of (Z)-but-2-enedioic acid;furan-2-carboxamide (CID 161348796) is (Z)-but-2-enedioic acid;furan-2-carboxamide.
What is the SMILES notation for (Z)-but-2-enedioic acid;furan-2-carboxamide?
The canonical SMILES for (Z)-but-2-enedioic acid;furan-2-carboxamide is NC(=O)c1ccco1.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;furan-2-carboxamide?
The InChIKey is VNQVVCJVVRRHPD-BTJKTKAUSA-N. The full InChI is InChI=1S/C5H5NO2.C4H4O4/c6-5(7)4-2-1-3-8-4;5-3(6)1-2-4(7)8/h1-3H,(H2,6,7);1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;furan-2-carboxamide?
(Z)-but-2-enedioic acid;furan-2-carboxamide has a molecular weight of 227.17 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;furan-2-carboxamide is sourced from PubChem (CID 161348796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).