1-[3-oxo-3-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)propyl]pyrimidine-2,4-dione

C19H26N4O4 — CID 72845569

IUPAC1-[3-oxo-3-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)propyl]pyrimidine-2,4-dione
SMILESC=CCN1CC2(CCC1=O)CCN(C(=O)CCn1ccc(=O)[nH]c1=O)CC2
InChIInChI=1S/C19H26N4O4/c1-2-9-23-14-19(6-3-16(23)25)7-12-21(13-8-19)17(26)5-11-22-10-4-15(24)20-18(22)27/h2,4,10H,1,3,5-9,11-14H2,(H,20,24,27)
InChIKeyFFOGLJDZOSQUMP-UHFFFAOYSA-N
MW374.44 g/mol
LogP0.34
Rot. Bonds5

About 1-[3-oxo-3-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)propyl]pyrimidine-2,4-dione

1-[3-oxo-3-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)propyl]pyrimidine-2,4-dione (PubChem CID 72845569) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-[3-oxo-3-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-oxo-3-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)propyl]pyrimidine-2,4-dione
PubChem CID72845569
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name1-[3-oxo-3-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)propyl]pyrimidine-2,4-dione
SMILESC=CCN1CC2(CCC1=O)CCN(C(=O)CCn1ccc(=O)[nH]c1=O)CC2
InChIInChI=1S/C19H26N4O4/c1-2-9-23-14-19(6-3-16(23)25)7-12-21(13-8-19)17(26)5-11-22-10-4-15(24)20-18(22)27/h2,4,10H,1,3,5-9,11-14H2,(H,20,24,27)
InChIKeyFFOGLJDZOSQUMP-UHFFFAOYSA-N
XLogP0.34
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-oxo-3-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)propyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-oxo-3-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)propyl]pyrimidine-2,4-dione (CID 72845569) is 1-[3-oxo-3-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-oxo-3-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)propyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-oxo-3-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)propyl]pyrimidine-2,4-dione is C=CCN1CC2(CCC1=O)CCN(C(=O)CCn1ccc(=O)[nH]c1=O)CC2.
What is the InChIKey of 1-[3-oxo-3-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)propyl]pyrimidine-2,4-dione?
The InChIKey is FFOGLJDZOSQUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-2-9-23-14-19(6-3-16(23)25)7-12-21(13-8-19)17(26)5-11-22-10-4-15(24)20-18(22)27/h2,4,10H,1,3,5-9,11-14H2,(H,20,24,27).
What are the key properties of 1-[3-oxo-3-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)propyl]pyrimidine-2,4-dione?
1-[3-oxo-3-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)propyl]pyrimidine-2,4-dione has a molecular weight of 374.44 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-oxo-3-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 72845569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).