N-hydroxy-3-(4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)prop-2-enamide

C16H18N2O4 — CID 75631482

IUPACN-hydroxy-3-(4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)prop-2-enamide
SMILESO=C(C=Cc1ccc2c(c1)C(=O)CC1(CCCNC1)O2)NO
InChIInChI=1S/C16H18N2O4/c19-13-9-16(6-1-7-17-10-16)22-14-4-2-11(8-12(13)14)3-5-15(20)18-21/h2-5,8,17,21H,1,6-7,9-10H2,(H,18,20)
InChIKeyQUGFVQYYUHIPIG-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.29
Rot. Bonds2

About N-hydroxy-3-(4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)prop-2-enamide

N-hydroxy-3-(4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)prop-2-enamide (PubChem CID 75631482) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-hydroxy-3-(4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-(4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)prop-2-enamide
PubChem CID75631482
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-hydroxy-3-(4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)prop-2-enamide
SMILESO=C(C=Cc1ccc2c(c1)C(=O)CC1(CCCNC1)O2)NO
InChIInChI=1S/C16H18N2O4/c19-13-9-16(6-1-7-17-10-16)22-14-4-2-11(8-12(13)14)3-5-15(20)18-21/h2-5,8,17,21H,1,6-7,9-10H2,(H,18,20)
InChIKeyQUGFVQYYUHIPIG-UHFFFAOYSA-N
XLogP1.29
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.29
H-Bond Donors ≤ 53
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)-N-hydroxy-3-[4-oxo-1'-(2-phenylethyl)spiro[3H-chromene-2,4'-azepane]-6-yl]prop-2-enamide
CID 51357275
(E)-N-hydroxy-3-(4-oxo-1'-propanoylspiro[3H-chromene-2,3'-pyrrolidine]-6-yl)prop-2-enamide
CID 51356711
(E)-3-(1'-benzyl-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
CID 51356716
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
(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
(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'-[(4-phenylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide;hydrochloride
CID 173032837
(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 N-hydroxy-3-(4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)prop-2-enamide?
The IUPAC name of N-hydroxy-3-(4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)prop-2-enamide (CID 75631482) is N-hydroxy-3-(4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-(4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)prop-2-enamide?
The canonical SMILES for N-hydroxy-3-(4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)prop-2-enamide is O=C(C=Cc1ccc2c(c1)C(=O)CC1(CCCNC1)O2)NO.
What is the InChIKey of N-hydroxy-3-(4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)prop-2-enamide?
The InChIKey is QUGFVQYYUHIPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-13-9-16(6-1-7-17-10-16)22-14-4-2-11(8-12(13)14)3-5-15(20)18-21/h2-5,8,17,21H,1,6-7,9-10H2,(H,18,20).
What are the key properties of N-hydroxy-3-(4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)prop-2-enamide?
N-hydroxy-3-(4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)prop-2-enamide has a molecular weight of 302.33 g/mol, XLogP of 1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)prop-2-enamide is sourced from PubChem (CID 75631482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).