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

C26H36N2O3 — CID 15662368

IUPAC8-[5-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCOc1cccc2c1C1CN(CCCCCN3C(=O)CC4(CCCC4)CC3=O)CC1C2
InChIInChI=1S/C26H36N2O3/c1-31-22-9-7-8-19-14-20-17-27(18-21(20)25(19)22)12-5-2-6-13-28-23(29)15-26(16-24(28)30)10-3-4-11-26/h7-9,20-21H,2-6,10-18H2,1H3
InChIKeyPDGMTKNPWWIJOV-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.15
Rot. Bonds7

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

8-[5-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 15662368) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is 8-[5-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[5-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID15662368
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC Name8-[5-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCOc1cccc2c1C1CN(CCCCCN3C(=O)CC4(CCCC4)CC3=O)CC1C2
InChIInChI=1S/C26H36N2O3/c1-31-22-9-7-8-19-14-20-17-27(18-21(20)25(19)22)12-5-2-6-13-28-23(29)15-26(16-24(28)30)10-3-4-11-26/h7-9,20-21H,2-6,10-18H2,1H3
InChIKeyPDGMTKNPWWIJOV-UHFFFAOYSA-N
XLogP4.15
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.15
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'}

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

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[5-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione (CID 15662368) is 8-[5-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[5-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[5-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione is COc1cccc2c1C1CN(CCCCCN3C(=O)CC4(CCCC4)CC3=O)CC1C2.
What is the InChIKey of 8-[5-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is PDGMTKNPWWIJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-31-22-9-7-8-19-14-20-17-27(18-21(20)25(19)22)12-5-2-6-13-28-23(29)15-26(16-24(28)30)10-3-4-11-26/h7-9,20-21H,2-6,10-18H2,1H3.
What are the key properties of 8-[5-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[5-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 424.59 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 15662368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).