(6R)-1'-but-2-ynyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide

C18H20N2O3 — CID 122616387

IUPAC(6R)-1'-but-2-ynyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
SMILESCC#CCN1CC[C@]2(CCc3cc(C(=O)NO)ccc3C2)C1=O
InChIInChI=1S/C18H20N2O3/c1-2-3-9-20-10-8-18(17(20)22)7-6-13-11-14(16(21)19-23)4-5-15(13)12-18/h4-5,11,23H,6-10,12H2,1H3,(H,19,21)/t18-/m0/s1
InChIKeyKMMQZKFEGOKNPO-SFHVURJKSA-N
MW312.37 g/mol
LogP1.54
Rot. Bonds2

About (6R)-1'-but-2-ynyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide

(6R)-1'-but-2-ynyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide (PubChem CID 122616387) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (6R)-1'-but-2-ynyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide.

Molecular Properties

Compound Name(6R)-1'-but-2-ynyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
PubChem CID122616387
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(6R)-1'-but-2-ynyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
SMILESCC#CCN1CC[C@]2(CCc3cc(C(=O)NO)ccc3C2)C1=O
InChIInChI=1S/C18H20N2O3/c1-2-3-9-20-10-8-18(17(20)22)7-6-13-11-14(16(21)19-23)4-5-15(13)12-18/h4-5,11,23H,6-10,12H2,1H3,(H,19,21)/t18-/m0/s1
InChIKeyKMMQZKFEGOKNPO-SFHVURJKSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.54
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (6R)-1'-but-2-ynyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-1'-but-2-ynyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The IUPAC name of (6R)-1'-but-2-ynyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide (CID 122616387) is (6R)-1'-but-2-ynyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide.
What is the SMILES notation for (6R)-1'-but-2-ynyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The canonical SMILES for (6R)-1'-but-2-ynyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide is CC#CCN1CC[C@]2(CCc3cc(C(=O)NO)ccc3C2)C1=O.
What is the InChIKey of (6R)-1'-but-2-ynyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The InChIKey is KMMQZKFEGOKNPO-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-3-9-20-10-8-18(17(20)22)7-6-13-11-14(16(21)19-23)4-5-15(13)12-18/h4-5,11,23H,6-10,12H2,1H3,(H,19,21)/t18-/m0/s1.
What are the key properties of (6R)-1'-but-2-ynyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
(6R)-1'-but-2-ynyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1'-but-2-ynyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide is sourced from PubChem (CID 122616387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).