(E)-3-[1-(2-methoxy-2-oxoethyl)pyrrol-2-yl]prop-2-enoic acid

C10H11NO4 — CID 82030810

IUPAC(E)-3-[1-(2-methoxy-2-oxoethyl)pyrrol-2-yl]prop-2-enoic acid
SMILESCOC(=O)Cn1cccc1/C=C/C(=O)O
InChIInChI=1S/C10H11NO4/c1-15-10(14)7-11-6-2-3-8(11)4-5-9(12)13/h2-6H,7H2,1H3,(H,12,13)/b5-4+
InChIKeyGFOKIYIAOXOMKA-SNAWJCMRSA-N
MW209.20 g/mol
LogP0.76
Rot. Bonds4

About (E)-3-[1-(2-methoxy-2-oxoethyl)pyrrol-2-yl]prop-2-enoic acid

(E)-3-[1-(2-methoxy-2-oxoethyl)pyrrol-2-yl]prop-2-enoic acid (PubChem CID 82030810) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is (E)-3-[1-(2-methoxy-2-oxoethyl)pyrrol-2-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[1-(2-methoxy-2-oxoethyl)pyrrol-2-yl]prop-2-enoic acid
PubChem CID82030810
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name(E)-3-[1-(2-methoxy-2-oxoethyl)pyrrol-2-yl]prop-2-enoic acid
SMILESCOC(=O)Cn1cccc1/C=C/C(=O)O
InChIInChI=1S/C10H11NO4/c1-15-10(14)7-11-6-2-3-8(11)4-5-9(12)13/h2-6H,7H2,1H3,(H,12,13)/b5-4+
InChIKeyGFOKIYIAOXOMKA-SNAWJCMRSA-N
XLogP0.76
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-[1-(2-methoxy-2-oxoethyl)pyrrol-2-yl]prop-2-enoic acid 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

(E)-3-[1-[2-(3-methylbutoxy)-2-oxoethyl]pyrrol-2-yl]prop-2-enoic acid
CID 82030815
(E)-3-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrol-2-yl]prop-2-enoic acid
CID 39150273
(E)-3-[1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrol-2-yl]prop-2-enoic acid
CID 82030801
(E)-3-[1-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]pyrrol-2-yl]prop-2-enoic acid
CID 39147379
(E)-3-[1-[(4-propoxycarbonylphenyl)methyl]pyrrol-2-yl]prop-2-enoic acid
CID 39150590
(E)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-2-yl]prop-2-enoic acid
CID 39150689
ethanol;ethyl (E)-3-[1-[(4-methoxyphenyl)methyl]pyrrol-2-yl]prop-2-enoate;(E)-3-[1-[(4-methoxyphenyl)methyl]pyrrol-2-yl]prop-2-enoic acid
CID 159829005
(E)-3-[1-[3-(4-chlorophenoxy)propyl]pyrrol-2-yl]prop-2-enoic acid
CID 39150652
(E)-3-[1-[(2,4-dichlorophenyl)methyl]pyrrol-2-yl]prop-2-enoic acid
CID 39150558
methyl 2-(2-pentylpyrrol-1-yl)acetate
CID 71346530
methyl 2-(2-imino-1-pyridinyl)acetate
CID 122129833
(E)-3-[1-[2-(3-formylphenoxy)ethyl]pyrrol-2-yl]prop-2-enoic acid
CID 87266192

Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-(2-methoxy-2-oxoethyl)pyrrol-2-yl]prop-2-enoic acid?
The IUPAC name of (E)-3-[1-(2-methoxy-2-oxoethyl)pyrrol-2-yl]prop-2-enoic acid (CID 82030810) is (E)-3-[1-(2-methoxy-2-oxoethyl)pyrrol-2-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[1-(2-methoxy-2-oxoethyl)pyrrol-2-yl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[1-(2-methoxy-2-oxoethyl)pyrrol-2-yl]prop-2-enoic acid is COC(=O)Cn1cccc1/C=C/C(=O)O.
What is the InChIKey of (E)-3-[1-(2-methoxy-2-oxoethyl)pyrrol-2-yl]prop-2-enoic acid?
The InChIKey is GFOKIYIAOXOMKA-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H11NO4/c1-15-10(14)7-11-6-2-3-8(11)4-5-9(12)13/h2-6H,7H2,1H3,(H,12,13)/b5-4+.
What are the key properties of (E)-3-[1-(2-methoxy-2-oxoethyl)pyrrol-2-yl]prop-2-enoic acid?
(E)-3-[1-(2-methoxy-2-oxoethyl)pyrrol-2-yl]prop-2-enoic acid has a molecular weight of 209.20 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-(2-methoxy-2-oxoethyl)pyrrol-2-yl]prop-2-enoic acid is sourced from PubChem (CID 82030810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).