3-[3-oxo-3-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C18H24N4O3 — CID 56808494

IUPAC3-[3-oxo-3-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CCC(=O)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C18H24N4O3/c23-15(21-11-4-6-14(21)13-5-3-10-19-13)7-12-22-16(24)18(20-17(22)25)8-1-2-9-18/h3,5,10,14,19H,1-2,4,6-9,11-12H2,(H,20,25)
InChIKeyXPKDLCJYYUXJCU-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.93
Rot. Bonds4

About 3-[3-oxo-3-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[3-oxo-3-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 56808494) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[3-oxo-3-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[3-oxo-3-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID56808494
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-[3-oxo-3-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CCC(=O)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C18H24N4O3/c23-15(21-11-4-6-14(21)13-5-3-10-19-13)7-12-22-16(24)18(20-17(22)25)8-1-2-9-18/h3,5,10,14,19H,1-2,4,6-9,11-12H2,(H,20,25)
InChIKeyXPKDLCJYYUXJCU-UHFFFAOYSA-N
XLogP1.93
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.93
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

3-[3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17408853
5-cyclopropyl-5-methyl-3-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 56797913
4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 79203455
3-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 9462521
3-[4-[(2S)-2-(3-methylphenyl)azepan-1-yl]-4-oxobutyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 97007106
3-[4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-oxobutyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 33149798
3-phenyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 47028466
5-bromo-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one
CID 107909521
4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one
CID 79203456
1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butane-1,3-dione
CID 60951109
3-[3-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 124592568
2-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]sulfanylacetic acid
CID 104569593

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[3-oxo-3-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 56808494) is 3-[3-oxo-3-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[3-oxo-3-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[3-oxo-3-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCCC2)C(=O)N1CCC(=O)N1CCCC1c1ccc[nH]1.
What is the InChIKey of 3-[3-oxo-3-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is XPKDLCJYYUXJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c23-15(21-11-4-6-14(21)13-5-3-10-19-13)7-12-22-16(24)18(20-17(22)25)8-1-2-9-18/h3,5,10,14,19H,1-2,4,6-9,11-12H2,(H,20,25).
What are the key properties of 3-[3-oxo-3-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[3-oxo-3-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 344.42 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 56808494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).