8-[3-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrobromide

C23H31BrN2O3 — CID 19795639

IUPAC8-[3-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrobromide
SMILESBr.O=C1CC2(CCCC2)CC(=O)N1CCCN1CC2c3ccccc3C(O)C2C1
InChIInChI=1S/C23H30N2O3.BrH/c26-20-12-23(8-3-4-9-23)13-21(27)25(20)11-5-10-24-14-18-16-6-1-2-7-17(16)22(28)19(18)15-24;/h1-2,6-7,18-19,22,28H,3-5,8-15H2;1H
InChIKeyRHZWICHYWCPTMI-UHFFFAOYSA-N
MW463.42 g/mol
LogP3.43
Rot. Bonds4

About 8-[3-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrobromide

8-[3-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrobromide (PubChem CID 19795639) has the molecular formula C23H31BrN2O3 and a molecular weight of 463.42 g/mol. Its IUPAC name is 8-[3-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrobromide.

Molecular Properties

Compound Name8-[3-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrobromide
PubChem CID19795639
Molecular FormulaC23H31BrN2O3
Molecular Weight463.42 g/mol
Exact Mass462.15
IUPAC Name8-[3-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrobromide
SMILESBr.O=C1CC2(CCCC2)CC(=O)N1CCCN1CC2c3ccccc3C(O)C2C1
InChIInChI=1S/C23H30N2O3.BrH/c26-20-12-23(8-3-4-9-23)13-21(27)25(20)11-5-10-24-14-18-16-6-1-2-7-17(16)22(28)19(18)15-24;/h1-2,6-7,18-19,22,28H,3-5,8-15H2;1H
InChIKeyRHZWICHYWCPTMI-UHFFFAOYSA-N
XLogP3.43
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[3-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrobromide 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 8-[3-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrobromide?
The IUPAC name of 8-[3-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrobromide (CID 19795639) is 8-[3-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrobromide.
What is the SMILES notation for 8-[3-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrobromide?
The canonical SMILES for 8-[3-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrobromide is Br.O=C1CC2(CCCC2)CC(=O)N1CCCN1CC2c3ccccc3C(O)C2C1.
What is the InChIKey of 8-[3-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrobromide?
The InChIKey is RHZWICHYWCPTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3.BrH/c26-20-12-23(8-3-4-9-23)13-21(27)25(20)11-5-10-24-14-18-16-6-1-2-7-17(16)22(28)19(18)15-24;/h1-2,6-7,18-19,22,28H,3-5,8-15H2;1H.
What are the key properties of 8-[3-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrobromide?
8-[3-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrobromide has a molecular weight of 463.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrobromide is sourced from PubChem (CID 19795639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).