3-oct-7-enyl-1H-pyrimidine-2,4-dione

C12H18N2O2 — CID 169034521

IUPAC3-oct-7-enyl-1H-pyrimidine-2,4-dione
SMILESC=CCCCCCCn1c(=O)cc[nH]c1=O
InChIInChI=1S/C12H18N2O2/c1-2-3-4-5-6-7-10-14-11(15)8-9-13-12(14)16/h2,8-9H,1,3-7,10H2,(H,13,16)
InChIKeyNBMPTICSYIEBFW-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.67
Rot. Bonds7

About 3-oct-7-enyl-1H-pyrimidine-2,4-dione

3-oct-7-enyl-1H-pyrimidine-2,4-dione (PubChem CID 169034521) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-oct-7-enyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-oct-7-enyl-1H-pyrimidine-2,4-dione
PubChem CID169034521
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-oct-7-enyl-1H-pyrimidine-2,4-dione
SMILESC=CCCCCCCn1c(=O)cc[nH]c1=O
InChIInChI=1S/C12H18N2O2/c1-2-3-4-5-6-7-10-14-11(15)8-9-13-12(14)16/h2,8-9H,1,3-7,10H2,(H,13,16)
InChIKeyNBMPTICSYIEBFW-UHFFFAOYSA-N
XLogP1.67
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(oct-7-enyl)benzimidazol-2-one
CID 155329209
1,3,5-tris(hept-6-enyl)-1,3,5-triazinane-2,4,6-trione
CID 153323053
1,3,5-tris(dec-9-enyl)-1,3,5-triazinane-2,4,6-trione
CID 135325486
3-(2,4-dioxo-1H-pyrimidin-3-yl)propylcarbamic acid
CID 54516772
3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione
CID 87497402
1,3-bis(hex-5-enyl)benzimidazol-2-one
CID 155329274
S-[6-(2,4-dioxo-1H-pyrimidin-3-yl)hexyl] 2-methylpropanethioate
CID 169034438
1-undec-10-enylpyrrole-2,5-diol
CID 54078128
3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione
CID 107104039
2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide
CID 103603478
1-oct-7-enylpyrrole-2,5-dione
CID 175459396
1-undec-10-enylpyrrole-2,5-dione
CID 86066335

Frequently Asked Questions

What is the IUPAC name of 3-oct-7-enyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-oct-7-enyl-1H-pyrimidine-2,4-dione (CID 169034521) is 3-oct-7-enyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-oct-7-enyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-oct-7-enyl-1H-pyrimidine-2,4-dione is C=CCCCCCCn1c(=O)cc[nH]c1=O.
What is the InChIKey of 3-oct-7-enyl-1H-pyrimidine-2,4-dione?
The InChIKey is NBMPTICSYIEBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-3-4-5-6-7-10-14-11(15)8-9-13-12(14)16/h2,8-9H,1,3-7,10H2,(H,13,16).
What are the key properties of 3-oct-7-enyl-1H-pyrimidine-2,4-dione?
3-oct-7-enyl-1H-pyrimidine-2,4-dione has a molecular weight of 222.29 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oct-7-enyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 169034521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).