N-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide

C14H16N2O4 — CID 71716967

IUPACN-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide
SMILESO=C(NO)C1CCCN1C(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C14H16N2O4/c17-11-6-3-10(4-7-11)5-8-13(18)16-9-1-2-12(16)14(19)15-20/h3-8,12,17,20H,1-2,9H2,(H,15,19)/b8-5+
InChIKeySPGLLGNVUXMNMT-VMPITWQZSA-N
MW276.29 g/mol
LogP0.90
Rot. Bonds3

About N-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide

N-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide (PubChem CID 71716967) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is N-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide
PubChem CID71716967
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide
SMILESO=C(NO)C1CCCN1C(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C14H16N2O4/c17-11-6-3-10(4-7-11)5-8-13(18)16-9-1-2-12(16)14(19)15-20/h3-8,12,17,20H,1-2,9H2,(H,15,19)/b8-5+
InChIKeySPGLLGNVUXMNMT-VMPITWQZSA-N
XLogP0.90
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpyrrolidine-2-carboxamide
CID 115343409
(2S)-N-[4-(2-aminocyclopropyl)phenyl]-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide
CID 132523915
1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide
CID 71897284
(2S)-1-[(E)-3-(4-carbamoylphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 51885587
1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 43355566
1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 24691683
methyl 4-[(E)-3-(2-carbamoylpyrrolidin-1-yl)-3-oxoprop-1-enyl]benzoate
CID 56826287
1-[3-(4-chlorophenyl)prop-2-enoyl]piperidine-2-carboxylic acid
CID 57367922
methyl 1-[(E)-3-(4-aminophenyl)prop-2-enoyl]piperidine-2-carboxylate
CID 115343233
1-[3-[4-(methylsulfamoyl)phenyl]prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 126786839
1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 43092074
(2S)-1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 92928090

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide (CID 71716967) is N-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide is O=C(NO)C1CCCN1C(=O)/C=C/c1ccc(O)cc1.
What is the InChIKey of N-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide?
The InChIKey is SPGLLGNVUXMNMT-VMPITWQZSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-11-6-3-10(4-7-11)5-8-13(18)16-9-1-2-12(16)14(19)15-20/h3-8,12,17,20H,1-2,9H2,(H,15,19)/b8-5+.
What are the key properties of N-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide?
N-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 71716967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).