(6R)-N-(2-cyanophenyl)-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide

C21H19N3O3 — CID 122624691

IUPAC(6R)-N-(2-cyanophenyl)-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
SMILESN#Cc1ccccc1N(O)C(=O)c1ccc2c(c1)CC[C@]1(CCNC1=O)C2
InChIInChI=1S/C21H19N3O3/c22-13-17-3-1-2-4-18(17)24(27)19(25)15-5-6-16-12-21(8-7-14(16)11-15)9-10-23-20(21)26/h1-6,11,27H,7-10,12H2,(H,23,26)/t21-/m0/s1
InChIKeyCRPWAXVPOLDHBB-NRFANRHFSA-N
MW361.40 g/mol
LogP2.59
Rot. Bonds2

About (6R)-N-(2-cyanophenyl)-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide

(6R)-N-(2-cyanophenyl)-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide (PubChem CID 122624691) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is (6R)-N-(2-cyanophenyl)-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide.

Molecular Properties

Compound Name(6R)-N-(2-cyanophenyl)-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
PubChem CID122624691
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name(6R)-N-(2-cyanophenyl)-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
SMILESN#Cc1ccccc1N(O)C(=O)c1ccc2c(c1)CC[C@]1(CCNC1=O)C2
InChIInChI=1S/C21H19N3O3/c22-13-17-3-1-2-4-18(17)24(27)19(25)15-5-6-16-12-21(8-7-14(16)11-15)9-10-23-20(21)26/h1-6,11,27H,7-10,12H2,(H,23,26)/t21-/m0/s1
InChIKeyCRPWAXVPOLDHBB-NRFANRHFSA-N
XLogP2.59
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (6R)-N-(2-cyanophenyl)-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The IUPAC name of (6R)-N-(2-cyanophenyl)-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide (CID 122624691) is (6R)-N-(2-cyanophenyl)-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide.
What is the SMILES notation for (6R)-N-(2-cyanophenyl)-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The canonical SMILES for (6R)-N-(2-cyanophenyl)-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide is N#Cc1ccccc1N(O)C(=O)c1ccc2c(c1)CC[C@]1(CCNC1=O)C2.
What is the InChIKey of (6R)-N-(2-cyanophenyl)-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The InChIKey is CRPWAXVPOLDHBB-NRFANRHFSA-N. The full InChI is InChI=1S/C21H19N3O3/c22-13-17-3-1-2-4-18(17)24(27)19(25)15-5-6-16-12-21(8-7-14(16)11-15)9-10-23-20(21)26/h1-6,11,27H,7-10,12H2,(H,23,26)/t21-/m0/s1.
What are the key properties of (6R)-N-(2-cyanophenyl)-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
(6R)-N-(2-cyanophenyl)-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-(2-cyanophenyl)-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide is sourced from PubChem (CID 122624691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).