8-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C17H24N4O4 — CID 56809745

IUPAC8-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)C3CC(=O)N(C4CCCC4)C3)CC2)N1
InChIInChI=1S/C17H24N4O4/c22-13-9-11(10-21(13)12-3-1-2-4-12)14(23)20-7-5-17(6-8-20)15(24)18-16(25)19-17/h11-12H,1-10H2,(H2,18,19,24,25)
InChIKeyKSYBPZOZFGUJCE-UHFFFAOYSA-N
MW348.40 g/mol
LogP-0.02
Rot. Bonds2

About 8-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 56809745) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 8-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID56809745
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name8-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)C3CC(=O)N(C4CCCC4)C3)CC2)N1
InChIInChI=1S/C17H24N4O4/c22-13-9-11(10-21(13)12-3-1-2-4-12)14(23)20-7-5-17(6-8-20)15(24)18-16(25)19-17/h11-12H,1-10H2,(H2,18,19,24,25)
InChIKeyKSYBPZOZFGUJCE-UHFFFAOYSA-N
XLogP-0.02
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 56809745) is 8-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCN(C(=O)C3CC(=O)N(C4CCCC4)C3)CC2)N1.
What is the InChIKey of 8-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is KSYBPZOZFGUJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c22-13-9-11(10-21(13)12-3-1-2-4-12)14(23)20-7-5-17(6-8-20)15(24)18-16(25)19-17/h11-12H,1-10H2,(H2,18,19,24,25).
What are the key properties of 8-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 348.40 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 56809745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).