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

C24H32N2O3 — CID 19795654

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
SMILESCOC1c2ccccc2C2CN(CCCN3C(=O)CC4(CCCC4)CC3=O)CC21
InChIInChI=1S/C24H32N2O3/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
InChIKeyFWNMEXGVNJTTPS-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.50
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

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 (PubChem CID 19795654) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 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.

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
PubChem CID19795654
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
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
SMILESCOC1c2ccccc2C2CN(CCCN3C(=O)CC4(CCCC4)CC3=O)CC21
InChIInChI=1S/C24H32N2O3/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
InChIKeyFWNMEXGVNJTTPS-UHFFFAOYSA-N
XLogP3.50
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.50
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 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?
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 (CID 19795654) 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.
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?
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 is COC1c2ccccc2C2CN(CCCN3C(=O)CC4(CCCC4)CC3=O)CC21.
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?
The InChIKey is FWNMEXGVNJTTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/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.
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?
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 has a molecular weight of 396.53 g/mol, XLogP of 3.50, 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 is sourced from PubChem (CID 19795654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).