(E)-N-hydroxy-3-(4-oxo-1'-propanoylspiro[3H-chromene-2,3'-pyrrolidine]-6-yl)prop-2-enamide

C18H20N2O5 — CID 51356711

IUPAC(E)-N-hydroxy-3-(4-oxo-1'-propanoylspiro[3H-chromene-2,3'-pyrrolidine]-6-yl)prop-2-enamide
SMILESCCC(=O)N1CCC2(CC(=O)c3cc(/C=C/C(=O)NO)ccc3O2)C1
InChIInChI=1S/C18H20N2O5/c1-2-17(23)20-8-7-18(11-20)10-14(21)13-9-12(3-5-15(13)25-18)4-6-16(22)19-24/h3-6,9,24H,2,7-8,10-11H2,1H3,(H,19,22)/b6-4+
InChIKeyWODNITJSZYJTNA-GQCTYLIASA-N
MW344.37 g/mol
LogP1.55
Rot. Bonds3

About (E)-N-hydroxy-3-(4-oxo-1'-propanoylspiro[3H-chromene-2,3'-pyrrolidine]-6-yl)prop-2-enamide

(E)-N-hydroxy-3-(4-oxo-1'-propanoylspiro[3H-chromene-2,3'-pyrrolidine]-6-yl)prop-2-enamide (PubChem CID 51356711) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is (E)-N-hydroxy-3-(4-oxo-1'-propanoylspiro[3H-chromene-2,3'-pyrrolidine]-6-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-(4-oxo-1'-propanoylspiro[3H-chromene-2,3'-pyrrolidine]-6-yl)prop-2-enamide
PubChem CID51356711
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name(E)-N-hydroxy-3-(4-oxo-1'-propanoylspiro[3H-chromene-2,3'-pyrrolidine]-6-yl)prop-2-enamide
SMILESCCC(=O)N1CCC2(CC(=O)c3cc(/C=C/C(=O)NO)ccc3O2)C1
InChIInChI=1S/C18H20N2O5/c1-2-17(23)20-8-7-18(11-20)10-14(21)13-9-12(3-5-15(13)25-18)4-6-16(22)19-24/h3-6,9,24H,2,7-8,10-11H2,1H3,(H,19,22)/b6-4+
InChIKeyWODNITJSZYJTNA-GQCTYLIASA-N
XLogP1.55
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-ethyl-6-[3-(hydroxyamino)-3-oxoprop-1-enyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 91400596
(E)-3-(1'-benzyl-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
CID 51356716
(E)-N-hydroxy-3-[1'-[(2-methylphenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide
CID 87208855
N-hydroxy-3-(4-oxo-1'-pyrimidin-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)prop-2-enamide
CID 74975570
(E)-N-hydroxy-3-[4-oxo-1'-(2-phenylethyl)spiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide
CID 57412108
N-hydroxy-3-(4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)prop-2-enamide
CID 75631482
(E)-3-[1'-(benzenesulfonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide
CID 87208878
3-[1'-[2-(4-aminophenyl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide
CID 123271954
3-[1'-[(2-chlorophenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide
CID 123419493
N-hydroxy-3-[4-oxo-1'-[(4-phenylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide;hydrochloride
CID 173032837
(E)-N-hydroxy-3-[1'-[(2-methoxyphenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide
CID 87208840
(E)-3-[1'-[(3-fluorophenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide
CID 87208817

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-(4-oxo-1'-propanoylspiro[3H-chromene-2,3'-pyrrolidine]-6-yl)prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-(4-oxo-1'-propanoylspiro[3H-chromene-2,3'-pyrrolidine]-6-yl)prop-2-enamide (CID 51356711) is (E)-N-hydroxy-3-(4-oxo-1'-propanoylspiro[3H-chromene-2,3'-pyrrolidine]-6-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-(4-oxo-1'-propanoylspiro[3H-chromene-2,3'-pyrrolidine]-6-yl)prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-(4-oxo-1'-propanoylspiro[3H-chromene-2,3'-pyrrolidine]-6-yl)prop-2-enamide is CCC(=O)N1CCC2(CC(=O)c3cc(/C=C/C(=O)NO)ccc3O2)C1.
What is the InChIKey of (E)-N-hydroxy-3-(4-oxo-1'-propanoylspiro[3H-chromene-2,3'-pyrrolidine]-6-yl)prop-2-enamide?
The InChIKey is WODNITJSZYJTNA-GQCTYLIASA-N. The full InChI is InChI=1S/C18H20N2O5/c1-2-17(23)20-8-7-18(11-20)10-14(21)13-9-12(3-5-15(13)25-18)4-6-16(22)19-24/h3-6,9,24H,2,7-8,10-11H2,1H3,(H,19,22)/b6-4+.
What are the key properties of (E)-N-hydroxy-3-(4-oxo-1'-propanoylspiro[3H-chromene-2,3'-pyrrolidine]-6-yl)prop-2-enamide?
(E)-N-hydroxy-3-(4-oxo-1'-propanoylspiro[3H-chromene-2,3'-pyrrolidine]-6-yl)prop-2-enamide has a molecular weight of 344.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-(4-oxo-1'-propanoylspiro[3H-chromene-2,3'-pyrrolidine]-6-yl)prop-2-enamide is sourced from PubChem (CID 51356711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).