3-(1-methylindol-3-yl)-4-spiro[1,3-dihydropyrrolo[1,2-a]indole-2,3'-pyrrolidine]-4-ylpyrrole-2,5-dione;hydrochloride

C27H25ClN4O2 — CID 70347322

IUPAC3-(1-methylindol-3-yl)-4-spiro[1,3-dihydropyrrolo[1,2-a]indole-2,3'-pyrrolidine]-4-ylpyrrole-2,5-dione;hydrochloride
SMILESCl.Cn1cc(C2=C(c3c4n(c5ccccc35)CC3(CCNC3)C4)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C27H24N4O2.ClH/c1-30-13-18(16-6-2-4-8-19(16)30)23-24(26(33)29-25(23)32)22-17-7-3-5-9-20(17)31-15-27(12-21(22)31)10-11-28-14-27;/h2-9,13,28H,10-12,14-15H2,1H3,(H,29,32,33);1H
InChIKeySHAQFLUEDZVSSD-UHFFFAOYSA-N
MW472.98 g/mol
LogP3.66
Rot. Bonds2

About 3-(1-methylindol-3-yl)-4-spiro[1,3-dihydropyrrolo[1,2-a]indole-2,3'-pyrrolidine]-4-ylpyrrole-2,5-dione;hydrochloride

3-(1-methylindol-3-yl)-4-spiro[1,3-dihydropyrrolo[1,2-a]indole-2,3'-pyrrolidine]-4-ylpyrrole-2,5-dione;hydrochloride (PubChem CID 70347322) has the molecular formula C27H25ClN4O2 and a molecular weight of 472.98 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-4-spiro[1,3-dihydropyrrolo[1,2-a]indole-2,3'-pyrrolidine]-4-ylpyrrole-2,5-dione;hydrochloride.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-4-spiro[1,3-dihydropyrrolo[1,2-a]indole-2,3'-pyrrolidine]-4-ylpyrrole-2,5-dione;hydrochloride
PubChem CID70347322
Molecular FormulaC27H25ClN4O2
Molecular Weight472.98 g/mol
Exact Mass472.17
IUPAC Name3-(1-methylindol-3-yl)-4-spiro[1,3-dihydropyrrolo[1,2-a]indole-2,3'-pyrrolidine]-4-ylpyrrole-2,5-dione;hydrochloride
SMILESCl.Cn1cc(C2=C(c3c4n(c5ccccc35)CC3(CCNC3)C4)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C27H24N4O2.ClH/c1-30-13-18(16-6-2-4-8-19(16)30)23-24(26(33)29-25(23)32)22-17-7-3-5-9-20(17)31-15-27(12-21(22)31)10-11-28-14-27;/h2-9,13,28H,10-12,14-15H2,1H3,(H,29,32,33);1H
InChIKeySHAQFLUEDZVSSD-UHFFFAOYSA-N
XLogP3.66
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.98
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-4-spiro[1,3-dihydropyrrolo[1,2-a]indole-2,3'-pyrrolidine]-4-ylpyrrole-2,5-dione;hydrochloride?
The IUPAC name of 3-(1-methylindol-3-yl)-4-spiro[1,3-dihydropyrrolo[1,2-a]indole-2,3'-pyrrolidine]-4-ylpyrrole-2,5-dione;hydrochloride (CID 70347322) is 3-(1-methylindol-3-yl)-4-spiro[1,3-dihydropyrrolo[1,2-a]indole-2,3'-pyrrolidine]-4-ylpyrrole-2,5-dione;hydrochloride.
What is the SMILES notation for 3-(1-methylindol-3-yl)-4-spiro[1,3-dihydropyrrolo[1,2-a]indole-2,3'-pyrrolidine]-4-ylpyrrole-2,5-dione;hydrochloride?
The canonical SMILES for 3-(1-methylindol-3-yl)-4-spiro[1,3-dihydropyrrolo[1,2-a]indole-2,3'-pyrrolidine]-4-ylpyrrole-2,5-dione;hydrochloride is Cl.Cn1cc(C2=C(c3c4n(c5ccccc35)CC3(CCNC3)C4)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-4-spiro[1,3-dihydropyrrolo[1,2-a]indole-2,3'-pyrrolidine]-4-ylpyrrole-2,5-dione;hydrochloride?
The InChIKey is SHAQFLUEDZVSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2.ClH/c1-30-13-18(16-6-2-4-8-19(16)30)23-24(26(33)29-25(23)32)22-17-7-3-5-9-20(17)31-15-27(12-21(22)31)10-11-28-14-27;/h2-9,13,28H,10-12,14-15H2,1H3,(H,29,32,33);1H.
What are the key properties of 3-(1-methylindol-3-yl)-4-spiro[1,3-dihydropyrrolo[1,2-a]indole-2,3'-pyrrolidine]-4-ylpyrrole-2,5-dione;hydrochloride?
3-(1-methylindol-3-yl)-4-spiro[1,3-dihydropyrrolo[1,2-a]indole-2,3'-pyrrolidine]-4-ylpyrrole-2,5-dione;hydrochloride has a molecular weight of 472.98 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-4-spiro[1,3-dihydropyrrolo[1,2-a]indole-2,3'-pyrrolidine]-4-ylpyrrole-2,5-dione;hydrochloride is sourced from PubChem (CID 70347322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).