3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

C18H25N3O3 — CID 2551640

IUPAC3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCc1cc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c(C)n1C
InChIInChI=1S/C18H25N3O3/c1-12-10-14(13(2)20(12)3)15(22)11-21-16(23)18(19-17(21)24)8-6-4-5-7-9-18/h10H,4-9,11H2,1-3H3,(H,19,24)
InChIKeyQSNSTBSRYWYRKH-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.47
Rot. Bonds3

About 3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 2551640) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID2551640
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCc1cc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c(C)n1C
InChIInChI=1S/C18H25N3O3/c1-12-10-14(13(2)20(12)3)15(22)11-21-16(23)18(19-17(21)24)8-6-4-5-7-9-18/h10H,4-9,11H2,1-3H3,(H,19,24)
InChIKeyQSNSTBSRYWYRKH-UHFFFAOYSA-N
XLogP2.47
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
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 3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 2551640) is 3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is Cc1cc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c(C)n1C.
What is the InChIKey of 3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is QSNSTBSRYWYRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12-10-14(13(2)20(12)3)15(22)11-21-16(23)18(19-17(21)24)8-6-4-5-7-9-18/h10H,4-9,11H2,1-3H3,(H,19,24).
What are the key properties of 3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 331.42 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 2551640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).