(2'S,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbohydrazide

C12H14N4O2 — CID 163846050

IUPAC(2'S,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbohydrazide
SMILESNNC(=O)[C@@H]1C[C@]2(CN1)C(=O)Nc1ccccc12
InChIInChI=1S/C12H14N4O2/c13-16-10(17)9-5-12(6-14-9)7-3-1-2-4-8(7)15-11(12)18/h1-4,9,14H,5-6,13H2,(H,15,18)(H,16,17)/t9-,12+/m0/s1
InChIKeyOQGNGPNZEOJVSE-JOYOIKCWSA-N
MW246.27 g/mol
LogP-0.77
Rot. Bonds1

About (2'S,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbohydrazide

(2'S,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbohydrazide (PubChem CID 163846050) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is (2'S,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbohydrazide.

Molecular Properties

Compound Name(2'S,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbohydrazide
PubChem CID163846050
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name(2'S,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbohydrazide
SMILESNNC(=O)[C@@H]1C[C@]2(CN1)C(=O)Nc1ccccc12
InChIInChI=1S/C12H14N4O2/c13-16-10(17)9-5-12(6-14-9)7-3-1-2-4-8(7)15-11(12)18/h1-4,9,14H,5-6,13H2,(H,15,18)(H,16,17)/t9-,12+/m0/s1
InChIKeyOQGNGPNZEOJVSE-JOYOIKCWSA-N
XLogP-0.77
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 123527468
N-[4-(2-hydroxyacetyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 172708107
N-[4-(3-amino-3-oxopropyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 172710291
5-deuterio-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 175928748
N-(4-acetyl-2-methoxyphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 172757933
N-(2-butoxy-4-carbamoylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 172684257
(2'S,3R)-4,4-difluoro-2-oxospiro[1H-quinoline-3,4'-pyrrolidine]-2'-carboxamide
CID 171733438
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
5'-oxo-N-phenylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
CID 141300537
methanamine;spiro[1H-indole-3,3'-azanidacyclobutane]-2-one;yttrium
CID 176955340
(2'S,3R)-7-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 171780693
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377

Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbohydrazide?
The IUPAC name of (2'S,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbohydrazide (CID 163846050) is (2'S,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbohydrazide.
What is the SMILES notation for (2'S,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbohydrazide?
The canonical SMILES for (2'S,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbohydrazide is NNC(=O)[C@@H]1C[C@]2(CN1)C(=O)Nc1ccccc12.
What is the InChIKey of (2'S,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbohydrazide?
The InChIKey is OQGNGPNZEOJVSE-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-16-10(17)9-5-12(6-14-9)7-3-1-2-4-8(7)15-11(12)18/h1-4,9,14H,5-6,13H2,(H,15,18)(H,16,17)/t9-,12+/m0/s1.
What are the key properties of (2'S,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbohydrazide?
(2'S,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbohydrazide has a molecular weight of 246.27 g/mol, XLogP of -0.77, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbohydrazide is sourced from PubChem (CID 163846050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).