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

C23H30N2O3 — CID 19795640

IUPAC8-[3-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCN1CC2c3ccccc3C(O)C2C1
InChIInChI=1S/C23H30N2O3/c26-20-12-23(8-3-4-9-23)13-21(27)25(20)11-5-10-24-14-18-16-6-1-2-7-17(16)22(28)19(18)15-24/h1-2,6-7,18-19,22,28H,3-5,8-15H2
InChIKeyLUCAZKQYMKMUGN-UHFFFAOYSA-N
MW382.50 g/mol
LogP2.85
Rot. Bonds4

About 8-[3-(4-hydroxy-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-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 19795640) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 8-[3-(4-hydroxy-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-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID19795640
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name8-[3-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCN1CC2c3ccccc3C(O)C2C1
InChIInChI=1S/C23H30N2O3/c26-20-12-23(8-3-4-9-23)13-21(27)25(20)11-5-10-24-14-18-16-6-1-2-7-17(16)22(28)19(18)15-24/h1-2,6-7,18-19,22,28H,3-5,8-15H2
InChIKeyLUCAZKQYMKMUGN-UHFFFAOYSA-N
XLogP2.85
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[3-(4-hydroxy-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-hydroxy-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-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione (CID 19795640) is 8-[3-(4-hydroxy-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-hydroxy-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-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)propyl]-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1CCCN1CC2c3ccccc3C(O)C2C1.
What is the InChIKey of 8-[3-(4-hydroxy-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 LUCAZKQYMKMUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c26-20-12-23(8-3-4-9-23)13-21(27)25(20)11-5-10-24-14-18-16-6-1-2-7-17(16)22(28)19(18)15-24/h1-2,6-7,18-19,22,28H,3-5,8-15H2.
What are the key properties of 8-[3-(4-hydroxy-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-hydroxy-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 382.50 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-hydroxy-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 19795640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).