2-prop-2-enyl-1,2-dihydropyrimidine

C7H10N2 — CID 70617617

IUPAC2-prop-2-enyl-1,2-dihydropyrimidine
SMILESC=CCC1N=CC=CN1
InChIInChI=1S/C7H10N2/c1-2-4-7-8-5-3-6-9-7/h2-3,5-8H,1,4H2
InChIKeyWUKFGOYVGLHKTD-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.08
Rot. Bonds2

About 2-prop-2-enyl-1,2-dihydropyrimidine

2-prop-2-enyl-1,2-dihydropyrimidine (PubChem CID 70617617) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-prop-2-enyl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name2-prop-2-enyl-1,2-dihydropyrimidine
PubChem CID70617617
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2-prop-2-enyl-1,2-dihydropyrimidine
SMILESC=CCC1N=CC=CN1
InChIInChI=1S/C7H10N2/c1-2-4-7-8-5-3-6-9-7/h2-3,5-8H,1,4H2
InChIKeyWUKFGOYVGLHKTD-UHFFFAOYSA-N
XLogP1.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-1,2-dihydropyrimidine?
The IUPAC name of 2-prop-2-enyl-1,2-dihydropyrimidine (CID 70617617) is 2-prop-2-enyl-1,2-dihydropyrimidine.
What is the SMILES notation for 2-prop-2-enyl-1,2-dihydropyrimidine?
The canonical SMILES for 2-prop-2-enyl-1,2-dihydropyrimidine is C=CCC1N=CC=CN1.
What is the InChIKey of 2-prop-2-enyl-1,2-dihydropyrimidine?
The InChIKey is WUKFGOYVGLHKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-4-7-8-5-3-6-9-7/h2-3,5-8H,1,4H2.
What are the key properties of 2-prop-2-enyl-1,2-dihydropyrimidine?
2-prop-2-enyl-1,2-dihydropyrimidine has a molecular weight of 122.17 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-1,2-dihydropyrimidine is sourced from PubChem (CID 70617617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).