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

C25H35ClN2O3 — CID 19795655

IUPAC8-[4-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
SMILESCOC1c2ccccc2C2CN(CCCCN3C(=O)CC4(CCCC4)CC3=O)CC21.Cl
InChIInChI=1S/C25H34N2O3.ClH/c1-30-24-19-9-3-2-8-18(19)20-16-26(17-21(20)24)12-6-7-13-27-22(28)14-25(15-23(27)29)10-4-5-11-25;/h2-3,8-9,20-21,24H,4-7,10-17H2,1H3;1H
InChIKeyRHGHLFGYYKTYRX-UHFFFAOYSA-N
MW447.02 g/mol
LogP4.31
Rot. Bonds6

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

8-[4-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride (PubChem CID 19795655) has the molecular formula C25H35ClN2O3 and a molecular weight of 447.02 g/mol. Its IUPAC name is 8-[4-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride.

Molecular Properties

Compound Name8-[4-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
PubChem CID19795655
Molecular FormulaC25H35ClN2O3
Molecular Weight447.02 g/mol
Exact Mass446.23
IUPAC Name8-[4-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
SMILESCOC1c2ccccc2C2CN(CCCCN3C(=O)CC4(CCCC4)CC3=O)CC21.Cl
InChIInChI=1S/C25H34N2O3.ClH/c1-30-24-19-9-3-2-8-18(19)20-16-26(17-21(20)24)12-6-7-13-27-22(28)14-25(15-23(27)29)10-4-5-11-25;/h2-3,8-9,20-21,24H,4-7,10-17H2,1H3;1H
InChIKeyRHGHLFGYYKTYRX-UHFFFAOYSA-N
XLogP4.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.02
LogP ≤ 54.31
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-[4-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?
The IUPAC name of 8-[4-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride (CID 19795655) is 8-[4-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride.
What is the SMILES notation for 8-[4-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?
The canonical SMILES for 8-[4-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride is COC1c2ccccc2C2CN(CCCCN3C(=O)CC4(CCCC4)CC3=O)CC21.Cl.
What is the InChIKey of 8-[4-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?
The InChIKey is RHGHLFGYYKTYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3.ClH/c1-30-24-19-9-3-2-8-18(19)20-16-26(17-21(20)24)12-6-7-13-27-22(28)14-25(15-23(27)29)10-4-5-11-25;/h2-3,8-9,20-21,24H,4-7,10-17H2,1H3;1H.
What are the key properties of 8-[4-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?
8-[4-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride has a molecular weight of 447.02 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride is sourced from PubChem (CID 19795655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).