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

C24H33ClN2O3 — CID 19795653

IUPAC8-[3-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
SMILESCOC1c2ccccc2C2CN(CCCN3C(=O)CC4(CCCC4)CC3=O)CC21.Cl
InChIInChI=1S/C24H32N2O3.ClH/c1-29-23-18-8-3-2-7-17(18)19-15-25(16-20(19)23)11-6-12-26-21(27)13-24(14-22(26)28)9-4-5-10-24;/h2-3,7-8,19-20,23H,4-6,9-16H2,1H3;1H
InChIKeyIDTFEQDYEBKBGH-UHFFFAOYSA-N
MW432.99 g/mol
LogP3.92
Rot. Bonds5

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

8-[3-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride (PubChem CID 19795653) has the molecular formula C24H33ClN2O3 and a molecular weight of 432.99 g/mol. Its IUPAC name is 8-[3-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride.

Molecular Properties

Compound Name8-[3-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
PubChem CID19795653
Molecular FormulaC24H33ClN2O3
Molecular Weight432.99 g/mol
Exact Mass432.22
IUPAC Name8-[3-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
SMILESCOC1c2ccccc2C2CN(CCCN3C(=O)CC4(CCCC4)CC3=O)CC21.Cl
InChIInChI=1S/C24H32N2O3.ClH/c1-29-23-18-8-3-2-7-17(18)19-15-25(16-20(19)23)11-6-12-26-21(27)13-24(14-22(26)28)9-4-5-10-24;/h2-3,7-8,19-20,23H,4-6,9-16H2,1H3;1H
InChIKeyIDTFEQDYEBKBGH-UHFFFAOYSA-N
XLogP3.92
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.99
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[3-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?
The IUPAC name of 8-[3-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride (CID 19795653) is 8-[3-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride.
What is the SMILES notation for 8-[3-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?
The canonical SMILES for 8-[3-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride is COC1c2ccccc2C2CN(CCCN3C(=O)CC4(CCCC4)CC3=O)CC21.Cl.
What is the InChIKey of 8-[3-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?
The InChIKey is IDTFEQDYEBKBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3.ClH/c1-29-23-18-8-3-2-7-17(18)19-15-25(16-20(19)23)11-6-12-26-21(27)13-24(14-22(26)28)9-4-5-10-24;/h2-3,7-8,19-20,23H,4-6,9-16H2,1H3;1H.
What are the key properties of 8-[3-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?
8-[3-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride has a molecular weight of 432.99 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride is sourced from PubChem (CID 19795653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).