8-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C15H19N3O3 — CID 4876371

IUPAC8-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc[nH]1)C2=O
InChIInChI=1S/C15H19N3O3/c1-10-4-6-15(7-5-10)13(20)18(14(21)17-15)9-12(19)11-3-2-8-16-11/h2-3,8,10,16H,4-7,9H2,1H3,(H,17,21)
InChIKeyIGIINJMDMURFFN-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.70
Rot. Bonds3

About 8-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

8-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 4876371) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 8-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID4876371
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name8-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc[nH]1)C2=O
InChIInChI=1S/C15H19N3O3/c1-10-4-6-15(7-5-10)13(20)18(14(21)17-15)9-12(19)11-3-2-8-16-11/h2-3,8,10,16H,4-7,9H2,1H3,(H,17,21)
InChIKeyIGIINJMDMURFFN-UHFFFAOYSA-N
XLogP1.70
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methyl-1H-pyrrole-2-carboxamide
CID 11085165
N-((4-Methylphenyl)methyl)-1H-pyrrole-2-carboxamide
CID 1489245
Spongiacidin C
CID 10634145
N-methyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide
CID 16110287
N-methyl-N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 16110289
N-methyl-N-(4-phenylbutyl)-1H-pyrrole-2-carboxamide
CID 16110291
N-methyl-N-(1-phenylethyl)-1H-pyrrole-2-carboxamide
CID 16110296
(R)-N-(alpha-Cyclohexylethyl)-1H-pyrrole-2-carboxamide
CID 16110298
N-[(1R)-1-cyclohexylethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 16110299
(S)-N-(alpha-Cyclohexylethyl)-1H-pyrrole-2-carboxamide
CID 16110303
N-[(1S)-1-cyclohexylethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 16110304
N-[3-(dimethylamino)propyl]-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide
CID 3553672

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 4876371) is 8-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc[nH]1)C2=O.
What is the InChIKey of 8-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is IGIINJMDMURFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-4-6-15(7-5-10)13(20)18(14(21)17-15)9-12(19)11-3-2-8-16-11/h2-3,8,10,16H,4-7,9H2,1H3,(H,17,21).
What are the key properties of 8-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 289.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 4876371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).