N-hydroxy-N-(6-oxocyclohexa-1,3-dien-1-yl)spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-carboxamide

C19H20N2O4 — CID 122624661

IUPACN-hydroxy-N-(6-oxocyclohexa-1,3-dien-1-yl)spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-carboxamide
SMILESO=C1CC=CC=C1N(O)C(=O)c1ccc2c(c1)CCC1(CCNC1)O2
InChIInChI=1S/C19H20N2O4/c22-16-4-2-1-3-15(16)21(24)18(23)14-5-6-17-13(11-14)7-8-19(25-17)9-10-20-12-19/h1-3,5-6,11,20,24H,4,7-10,12H2
InChIKeyVIEHZWXYWUMPHU-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.99
Rot. Bonds2

About N-hydroxy-N-(6-oxocyclohexa-1,3-dien-1-yl)spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-carboxamide

N-hydroxy-N-(6-oxocyclohexa-1,3-dien-1-yl)spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-carboxamide (PubChem CID 122624661) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-hydroxy-N-(6-oxocyclohexa-1,3-dien-1-yl)spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-N-(6-oxocyclohexa-1,3-dien-1-yl)spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-carboxamide
PubChem CID122624661
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-hydroxy-N-(6-oxocyclohexa-1,3-dien-1-yl)spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-carboxamide
SMILESO=C1CC=CC=C1N(O)C(=O)c1ccc2c(c1)CCC1(CCNC1)O2
InChIInChI=1S/C19H20N2O4/c22-16-4-2-1-3-15(16)21(24)18(23)14-5-6-17-13(11-14)7-8-19(25-17)9-10-20-12-19/h1-3,5-6,11,20,24H,4,7-10,12H2
InChIKeyVIEHZWXYWUMPHU-UHFFFAOYSA-N
XLogP1.99
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-(6-oxocyclohexa-1,3-dien-1-yl)spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-carboxamide?
The IUPAC name of N-hydroxy-N-(6-oxocyclohexa-1,3-dien-1-yl)spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-carboxamide (CID 122624661) is N-hydroxy-N-(6-oxocyclohexa-1,3-dien-1-yl)spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-carboxamide.
What is the SMILES notation for N-hydroxy-N-(6-oxocyclohexa-1,3-dien-1-yl)spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-carboxamide?
The canonical SMILES for N-hydroxy-N-(6-oxocyclohexa-1,3-dien-1-yl)spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-carboxamide is O=C1CC=CC=C1N(O)C(=O)c1ccc2c(c1)CCC1(CCNC1)O2.
What is the InChIKey of N-hydroxy-N-(6-oxocyclohexa-1,3-dien-1-yl)spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-carboxamide?
The InChIKey is VIEHZWXYWUMPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-16-4-2-1-3-15(16)21(24)18(23)14-5-6-17-13(11-14)7-8-19(25-17)9-10-20-12-19/h1-3,5-6,11,20,24H,4,7-10,12H2.
What are the key properties of N-hydroxy-N-(6-oxocyclohexa-1,3-dien-1-yl)spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-carboxamide?
N-hydroxy-N-(6-oxocyclohexa-1,3-dien-1-yl)spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-(6-oxocyclohexa-1,3-dien-1-yl)spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-carboxamide is sourced from PubChem (CID 122624661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).