(E)-but-2-enedioic acid;N-(2-hydroxyphenyl)acetamide

C12H13NO6 — CID 175230643

IUPAC(E)-but-2-enedioic acid;N-(2-hydroxyphenyl)acetamide
SMILESCC(=O)Nc1ccccc1O.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C8H9NO2.C4H4O4/c1-6(10)9-7-4-2-3-5-8(7)11;5-3(6)1-2-4(7)8/h2-5,11H,1H3,(H,9,10);1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyGPICLKSURWGADU-WLHGVMLRSA-N
MW267.24 g/mol
LogP1.06
Rot. Bonds3

About (E)-but-2-enedioic acid;N-(2-hydroxyphenyl)acetamide

(E)-but-2-enedioic acid;N-(2-hydroxyphenyl)acetamide (PubChem CID 175230643) has the molecular formula C12H13NO6 and a molecular weight of 267.24 g/mol. Its IUPAC name is (E)-but-2-enedioic acid;N-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name(E)-but-2-enedioic acid;N-(2-hydroxyphenyl)acetamide
PubChem CID175230643
Molecular FormulaC12H13NO6
Molecular Weight267.24 g/mol
Exact Mass267.07
IUPAC Name(E)-but-2-enedioic acid;N-(2-hydroxyphenyl)acetamide
SMILESCC(=O)Nc1ccccc1O.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C8H9NO2.C4H4O4/c1-6(10)9-7-4-2-3-5-8(7)11;5-3(6)1-2-4(7)8/h2-5,11H,1H3,(H,9,10);1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyGPICLKSURWGADU-WLHGVMLRSA-N
XLogP1.06
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-acetamidophenyl)prop-2-enoic acid
CID 53423741
4-bromophenol;N-(2-hydroxyphenyl)acetamide
CID 175122442
2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide
CID 4947897
(E)-4-[2-[[(E)-3-carboxyprop-2-enoyl]amino]anilino]-4-oxobut-2-enoic acid
CID 717763
4-[2-[2-(3-carboxyprop-2-enoylamino)phenyl]anilino]-4-oxobut-2-enoic acid
CID 1068901
N-[(2-hydroxyphenyl)carbamothioyl]acetamide
CID 13109787
(Z)-4-(2-acetylanilino)-4-oxobut-2-enoic acid
CID 6364927
N-(3-acetamidoazulen-1-yl)acetamide
CID 86151929
(E)-4-(2-acetamidophenoxy)but-2-enoic acid
CID 55065855
3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide
CID 78796655
methyl N-(2-hydroxyphenyl)carbamate
CID 819280
4-oxo-4-(2-prop-1-en-2-ylanilino)but-2-enoic acid
CID 54218562

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enedioic acid;N-(2-hydroxyphenyl)acetamide?
The IUPAC name of (E)-but-2-enedioic acid;N-(2-hydroxyphenyl)acetamide (CID 175230643) is (E)-but-2-enedioic acid;N-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for (E)-but-2-enedioic acid;N-(2-hydroxyphenyl)acetamide?
The canonical SMILES for (E)-but-2-enedioic acid;N-(2-hydroxyphenyl)acetamide is CC(=O)Nc1ccccc1O.O=C(O)/C=C/C(=O)O.
What is the InChIKey of (E)-but-2-enedioic acid;N-(2-hydroxyphenyl)acetamide?
The InChIKey is GPICLKSURWGADU-WLHGVMLRSA-N. The full InChI is InChI=1S/C8H9NO2.C4H4O4/c1-6(10)9-7-4-2-3-5-8(7)11;5-3(6)1-2-4(7)8/h2-5,11H,1H3,(H,9,10);1-2H,(H,5,6)(H,7,8)/b;2-1+.
What are the key properties of (E)-but-2-enedioic acid;N-(2-hydroxyphenyl)acetamide?
(E)-but-2-enedioic acid;N-(2-hydroxyphenyl)acetamide has a molecular weight of 267.24 g/mol, XLogP of 1.06, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enedioic acid;N-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 175230643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).