N-hydroxy-1'-methyl-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide

C15H18N2O3 — CID 122632339

IUPACN-hydroxy-1'-methyl-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide
SMILESCN1CC2(CCc3ccc(C(=O)NO)cc3C2)CC1=O
InChIInChI=1S/C15H18N2O3/c1-17-9-15(8-13(17)18)5-4-10-2-3-11(14(19)16-20)6-12(10)7-15/h2-3,6,20H,4-5,7-9H2,1H3,(H,16,19)
InChIKeyCGPOFLRDMLVQRH-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.14
Rot. Bonds1

About N-hydroxy-1'-methyl-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide

N-hydroxy-1'-methyl-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide (PubChem CID 122632339) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-hydroxy-1'-methyl-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1'-methyl-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide
PubChem CID122632339
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-hydroxy-1'-methyl-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide
SMILESCN1CC2(CCc3ccc(C(=O)NO)cc3C2)CC1=O
InChIInChI=1S/C15H18N2O3/c1-17-9-15(8-13(17)18)5-4-10-2-3-11(14(19)16-20)6-12(10)7-15/h2-3,6,20H,4-5,7-9H2,1H3,(H,16,19)
InChIKeyCGPOFLRDMLVQRH-UHFFFAOYSA-N
XLogP1.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-1'-methyl-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide?
The IUPAC name of N-hydroxy-1'-methyl-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide (CID 122632339) is N-hydroxy-1'-methyl-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide.
What is the SMILES notation for N-hydroxy-1'-methyl-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide?
The canonical SMILES for N-hydroxy-1'-methyl-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide is CN1CC2(CCc3ccc(C(=O)NO)cc3C2)CC1=O.
What is the InChIKey of N-hydroxy-1'-methyl-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide?
The InChIKey is CGPOFLRDMLVQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-17-9-15(8-13(17)18)5-4-10-2-3-11(14(19)16-20)6-12(10)7-15/h2-3,6,20H,4-5,7-9H2,1H3,(H,16,19).
What are the key properties of N-hydroxy-1'-methyl-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide?
N-hydroxy-1'-methyl-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1'-methyl-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide is sourced from PubChem (CID 122632339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).