3-[6-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C24H19N3O2 — CID 11315034

IUPAC3-[6-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cccc4cc(CN)ccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C24H19N3O2/c1-27-13-19(17-6-2-3-8-20(17)27)22-21(23(28)26-24(22)29)18-7-4-5-15-11-14(12-25)9-10-16(15)18/h2-11,13H,12,25H2,1H3,(H,26,28,29)
InChIKeyBLYAGPCWZUKSNN-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.36
Rot. Bonds3

About 3-[6-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

3-[6-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 11315034) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-[6-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[6-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID11315034
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name3-[6-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cccc4cc(CN)ccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C24H19N3O2/c1-27-13-19(17-6-2-3-8-20(17)27)22-21(23(28)26-24(22)29)18-7-4-5-15-11-14(12-25)9-10-16(15)18/h2-11,13H,12,25H2,1H3,(H,26,28,29)
InChIKeyBLYAGPCWZUKSNN-UHFFFAOYSA-N
XLogP3.36
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[6-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[6-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 11315034) is 3-[6-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[6-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[6-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3cccc4cc(CN)ccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[6-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is BLYAGPCWZUKSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-27-13-19(17-6-2-3-8-20(17)27)22-21(23(28)26-24(22)29)18-7-4-5-15-11-14(12-25)9-10-16(15)18/h2-11,13H,12,25H2,1H3,(H,26,28,29).
What are the key properties of 3-[6-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-[6-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 381.44 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 11315034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).