3-hept-6-enylpyrimidin-4-one

C11H16N2O — CID 107010236

IUPAC3-hept-6-enylpyrimidin-4-one
SMILESC=CCCCCCn1cnccc1=O
InChIInChI=1S/C11H16N2O/c1-2-3-4-5-6-9-13-10-12-8-7-11(13)14/h2,7-8,10H,1,3-6,9H2
InChIKeyMJRJEEQBYUBFBD-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.99
Rot. Bonds6

About 3-hept-6-enylpyrimidin-4-one

3-hept-6-enylpyrimidin-4-one (PubChem CID 107010236) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-hept-6-enylpyrimidin-4-one.

Molecular Properties

Compound Name3-hept-6-enylpyrimidin-4-one
PubChem CID107010236
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-hept-6-enylpyrimidin-4-one
SMILESC=CCCCCCn1cnccc1=O
InChIInChI=1S/C11H16N2O/c1-2-3-4-5-6-9-13-10-12-8-7-11(13)14/h2,7-8,10H,1,3-6,9H2
InChIKeyMJRJEEQBYUBFBD-UHFFFAOYSA-N
XLogP1.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-hept-6-enylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-Piperidin-1-ylpropyl)pyrimidin-4-one
CID 76336113
5-Fluoro-3-hex-5-enylpyrimidin-4-one
CID 166235596
3-Cyclohexyl-3,4-dihydropyrimidin-4-one
CID 58589517
3-piperidin-1-yl-1-(4H-pyrimidin-3-yl)prop-2-en-1-one
CID 129188438
3-Hexyl-2-methylpyrimidin-4-one
CID 141270985
5-Iodo-3-pent-4-enylpyrimidin-4-one
CID 66308854
5-Bromo-3-hept-6-enylpyrimidin-4-one
CID 107009985
3-Hept-6-enyl-5-iodopyrimidin-4-one
CID 107009988
3-Hept-6-enyl-5-iodo-2-methylpyrimidin-4-one
CID 107009990
6-Chloro-3-hept-6-enylpyrimidin-4-one
CID 107010009
3-(3-Methylbut-3-enyl)pyrimidin-4-one
CID 114447972
6-Chloro-3-pent-4-enylpyrimidin-4-one
CID 114582188

Frequently Asked Questions

What is the IUPAC name of 3-hept-6-enylpyrimidin-4-one?
The IUPAC name of 3-hept-6-enylpyrimidin-4-one (CID 107010236) is 3-hept-6-enylpyrimidin-4-one.
What is the SMILES notation for 3-hept-6-enylpyrimidin-4-one?
The canonical SMILES for 3-hept-6-enylpyrimidin-4-one is C=CCCCCCn1cnccc1=O.
What is the InChIKey of 3-hept-6-enylpyrimidin-4-one?
The InChIKey is MJRJEEQBYUBFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-3-4-5-6-9-13-10-12-8-7-11(13)14/h2,7-8,10H,1,3-6,9H2.
What are the key properties of 3-hept-6-enylpyrimidin-4-one?
3-hept-6-enylpyrimidin-4-one has a molecular weight of 192.26 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hept-6-enylpyrimidin-4-one is sourced from PubChem (CID 107010236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).