4-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium

C9H13N2OY- — CID 59979656

IUPAC4-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium
SMILES[H]/[C-]=C\CCC1C=CNC(=O)N1C.[Y]
InChIInChI=1S/C9H13N2O.Y/c1-3-4-5-8-6-7-10-9(12)11(8)2;/h1,3,6-8H,4-5H2,2H3,(H,10,12);/q-1;
InChIKeyCSFHLKLPNWJODN-UHFFFAOYSA-N
MW254.12 g/mol
LogP1.29
Rot. Bonds3

About 4-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium

4-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium (PubChem CID 59979656) has the molecular formula C9H13N2OY- and a molecular weight of 254.12 g/mol. Its IUPAC name is 4-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium.

Molecular Properties

Compound Name4-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium
PubChem CID59979656
Molecular FormulaC9H13N2OY-
Molecular Weight254.12 g/mol
Exact Mass254.01
IUPAC Name4-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium
SMILES[H]/[C-]=C\CCC1C=CNC(=O)N1C.[Y]
InChIInChI=1S/C9H13N2O.Y/c1-3-4-5-8-6-7-10-9(12)11(8)2;/h1,3,6-8H,4-5H2,2H3,(H,10,12);/q-1;
InChIKeyCSFHLKLPNWJODN-UHFFFAOYSA-N
XLogP1.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,4-Di-hydro-4-methyl-2(1H)-pyrimidinon
CID 14689526
3-Hex-1-en-3-yl-1,1-dimethylurea
CID 15112129
3,4-Di(propan-2-yl)-1,4-dihydropyrimidin-2-one
CID 23529110
1,6-Bis(ethenyl)-1,3-diazinan-2-one
CID 54375708
3-propan-2-yl-4,5-dihydro-1H-1,3-diazepin-2-one
CID 59555026
5-But-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium
CID 59979655
3,6-Dipentyl-1,6-dihydropyrimidin-2-one
CID 66633362
4-pentyl-3,4-dihydro-1H-pyrimidin-2-one
CID 66734873
1,3,4-Trimethyl-1,4-dihydropyrimidin-1-ium-2-one chloride
CID 68518797
4-Methyl-1,3-dipropyl-1,4-dihydropyrimidin-1-ium-2-one chloride
CID 69539988
3,4-Dipentyl-1,4-dihydropyrimidin-2-one
CID 117872399
3,6-Dimethyl-1,6-dihydropyrimidin-2-one
CID 126737246

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium?
The IUPAC name of 4-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium (CID 59979656) is 4-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium.
What is the SMILES notation for 4-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium?
The canonical SMILES for 4-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium is [H]/[C-]=C\CCC1C=CNC(=O)N1C.[Y].
What is the InChIKey of 4-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium?
The InChIKey is CSFHLKLPNWJODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2O.Y/c1-3-4-5-8-6-7-10-9(12)11(8)2;/h1,3,6-8H,4-5H2,2H3,(H,10,12);/q-1;.
What are the key properties of 4-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium?
4-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium has a molecular weight of 254.12 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium is sourced from PubChem (CID 59979656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).