2-prop-2-enyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one

C15H20N4O — CID 97370217

IUPAC2-prop-2-enyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESC=CCN1CCC2(CCN(c3ncccn3)CC2)C1=O
InChIInChI=1S/C15H20N4O/c1-2-9-18-10-4-15(13(18)20)5-11-19(12-6-15)14-16-7-3-8-17-14/h2-3,7-8H,1,4-6,9-12H2
InChIKeyKJEPMOXAGLYTLV-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.48
Rot. Bonds3

About 2-prop-2-enyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one

2-prop-2-enyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97370217) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-prop-2-enyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-prop-2-enyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97370217
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-prop-2-enyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESC=CCN1CCC2(CCN(c3ncccn3)CC2)C1=O
InChIInChI=1S/C15H20N4O/c1-2-9-18-10-4-15(13(18)20)5-11-19(12-6-15)14-16-7-3-8-17-14/h2-3,7-8H,1,4-6,9-12H2
InChIKeyKJEPMOXAGLYTLV-UHFFFAOYSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-prop-2-enyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-prop-2-enyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one (CID 97370217) is 2-prop-2-enyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-prop-2-enyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-prop-2-enyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one is C=CCN1CCC2(CCN(c3ncccn3)CC2)C1=O.
What is the InChIKey of 2-prop-2-enyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is KJEPMOXAGLYTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-9-18-10-4-15(13(18)20)5-11-19(12-6-15)14-16-7-3-8-17-14/h2-3,7-8H,1,4-6,9-12H2.
What are the key properties of 2-prop-2-enyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
2-prop-2-enyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 272.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97370217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).