8-[5-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride

C26H37ClN2O3 — CID 19795676

IUPAC8-[5-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
SMILESCOC1c2ccccc2C2CN(CCCCCN3C(=O)CC4(CCCC4)CC3=O)CC21.Cl
InChIInChI=1S/C26H36N2O3.ClH/c1-31-25-20-10-4-3-9-19(20)21-17-27(18-22(21)25)13-7-2-8-14-28-23(29)15-26(16-24(28)30)11-5-6-12-26;/h3-4,9-10,21-22,25H,2,5-8,11-18H2,1H3;1H
InChIKeyASYJVFFUHNOFIU-UHFFFAOYSA-N
MW461.05 g/mol
LogP4.70
Rot. Bonds7

About 8-[5-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride

8-[5-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride (PubChem CID 19795676) has the molecular formula C26H37ClN2O3 and a molecular weight of 461.05 g/mol. Its IUPAC name is 8-[5-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride.

Molecular Properties

Compound Name8-[5-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
PubChem CID19795676
Molecular FormulaC26H37ClN2O3
Molecular Weight461.05 g/mol
Exact Mass460.25
IUPAC Name8-[5-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
SMILESCOC1c2ccccc2C2CN(CCCCCN3C(=O)CC4(CCCC4)CC3=O)CC21.Cl
InChIInChI=1S/C26H36N2O3.ClH/c1-31-25-20-10-4-3-9-19(20)21-17-27(18-22(21)25)13-7-2-8-14-28-23(29)15-26(16-24(28)30)11-5-6-12-26;/h3-4,9-10,21-22,25H,2,5-8,11-18H2,1H3;1H
InChIKeyASYJVFFUHNOFIU-UHFFFAOYSA-N
XLogP4.70
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.05
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?
The IUPAC name of 8-[5-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride (CID 19795676) is 8-[5-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride.
What is the SMILES notation for 8-[5-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?
The canonical SMILES for 8-[5-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride is COC1c2ccccc2C2CN(CCCCCN3C(=O)CC4(CCCC4)CC3=O)CC21.Cl.
What is the InChIKey of 8-[5-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?
The InChIKey is ASYJVFFUHNOFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3.ClH/c1-31-25-20-10-4-3-9-19(20)21-17-27(18-22(21)25)13-7-2-8-14-28-23(29)15-26(16-24(28)30)11-5-6-12-26;/h3-4,9-10,21-22,25H,2,5-8,11-18H2,1H3;1H.
What are the key properties of 8-[5-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?
8-[5-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride has a molecular weight of 461.05 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride is sourced from PubChem (CID 19795676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).