(3S,7'aS)-2'-phenylspiro[1H-indole-3,6'-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole]-1',2,3'-trione

C19H15N3O3 — CID 141497085

IUPAC(3S,7'aS)-2'-phenylspiro[1H-indole-3,6'-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole]-1',2,3'-trione
SMILESO=C1[C@@H]2C[C@]3(CN2C(=O)N1c1ccccc1)C(=O)Nc1ccccc13
InChIInChI=1S/C19H15N3O3/c23-16-15-10-19(13-8-4-5-9-14(13)20-17(19)24)11-21(15)18(25)22(16)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,20,24)/t15-,19+/m0/s1
InChIKeyNHUIJDYWNWVADN-HNAYVOBHSA-N
MW333.35 g/mol
LogP2.12
Rot. Bonds1

About (3S,7'aS)-2'-phenylspiro[1H-indole-3,6'-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole]-1',2,3'-trione

(3S,7'aS)-2'-phenylspiro[1H-indole-3,6'-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole]-1',2,3'-trione (PubChem CID 141497085) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is (3S,7'aS)-2'-phenylspiro[1H-indole-3,6'-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole]-1',2,3'-trione.

Molecular Properties

Compound Name(3S,7'aS)-2'-phenylspiro[1H-indole-3,6'-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole]-1',2,3'-trione
PubChem CID141497085
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name(3S,7'aS)-2'-phenylspiro[1H-indole-3,6'-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole]-1',2,3'-trione
SMILESO=C1[C@@H]2C[C@]3(CN2C(=O)N1c1ccccc1)C(=O)Nc1ccccc13
InChIInChI=1S/C19H15N3O3/c23-16-15-10-19(13-8-4-5-9-14(13)20-17(19)24)11-21(15)18(25)22(16)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,20,24)/t15-,19+/m0/s1
InChIKeyNHUIJDYWNWVADN-HNAYVOBHSA-N
XLogP2.12
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (3S,7'aS)-2'-phenylspiro[1H-indole-3,6'-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole]-1',2,3'-trione with MolForge

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

Launch Full Analysis

Related Compounds

5-[2-oxo-3-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-yl)-1H-indol-3-yl]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 12035129
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
(2'S,3S)-1'-tert-butyl-2'-methylspiro[1H-indole-3,4'-pyrrolidine]-2-one
CID 154287674
tert-butyl (2'R,3S)-2-oxo-2'-phenylspiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate
CID 71494321
molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one
CID 145209538
2'-[(4-phenylpiperazin-1-yl)methyl]spiro[1H-indole-3,4'-oxolane]-2-one
CID 139424044
2'-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 59069770
(9S)-11-phenyl-1,4,6,11-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),5-diene-10,12-dione
CID 14403674
(3S,3'aR,8'bS)-2'-phenylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
CID 101361956
5'-methylspiro[1H-indole-3,3'-oxane]-2-one
CID 142424167
1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
CID 3042076
1'-(oxetan-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 141437837

Frequently Asked Questions

What is the IUPAC name of (3S,7'aS)-2'-phenylspiro[1H-indole-3,6'-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole]-1',2,3'-trione?
The IUPAC name of (3S,7'aS)-2'-phenylspiro[1H-indole-3,6'-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole]-1',2,3'-trione (CID 141497085) is (3S,7'aS)-2'-phenylspiro[1H-indole-3,6'-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole]-1',2,3'-trione.
What is the SMILES notation for (3S,7'aS)-2'-phenylspiro[1H-indole-3,6'-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole]-1',2,3'-trione?
The canonical SMILES for (3S,7'aS)-2'-phenylspiro[1H-indole-3,6'-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole]-1',2,3'-trione is O=C1[C@@H]2C[C@]3(CN2C(=O)N1c1ccccc1)C(=O)Nc1ccccc13.
What is the InChIKey of (3S,7'aS)-2'-phenylspiro[1H-indole-3,6'-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole]-1',2,3'-trione?
The InChIKey is NHUIJDYWNWVADN-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-16-15-10-19(13-8-4-5-9-14(13)20-17(19)24)11-21(15)18(25)22(16)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,20,24)/t15-,19+/m0/s1.
What are the key properties of (3S,7'aS)-2'-phenylspiro[1H-indole-3,6'-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole]-1',2,3'-trione?
(3S,7'aS)-2'-phenylspiro[1H-indole-3,6'-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole]-1',2,3'-trione has a molecular weight of 333.35 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7'aS)-2'-phenylspiro[1H-indole-3,6'-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole]-1',2,3'-trione is sourced from PubChem (CID 141497085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).