2-prop-2-enyl-1,2,3,4-tetrahydropyrimidine

C7H12N2 — CID 67831470

IUPAC2-prop-2-enyl-1,2,3,4-tetrahydropyrimidine
SMILESC=CCC1NC=CCN1
InChIInChI=1S/C7H12N2/c1-2-4-7-8-5-3-6-9-7/h2-3,5,7-9H,1,4,6H2
InChIKeyUHHIJRQJUBICGC-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.60
Rot. Bonds2

About 2-prop-2-enyl-1,2,3,4-tetrahydropyrimidine

2-prop-2-enyl-1,2,3,4-tetrahydropyrimidine (PubChem CID 67831470) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-prop-2-enyl-1,2,3,4-tetrahydropyrimidine.

Molecular Properties

Compound Name2-prop-2-enyl-1,2,3,4-tetrahydropyrimidine
PubChem CID67831470
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-prop-2-enyl-1,2,3,4-tetrahydropyrimidine
SMILESC=CCC1NC=CCN1
InChIInChI=1S/C7H12N2/c1-2-4-7-8-5-3-6-9-7/h2-3,5,7-9H,1,4,6H2
InChIKeyUHHIJRQJUBICGC-UHFFFAOYSA-N
XLogP0.60
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.60
H-Bond Donors ≤ 52
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-1,2,3,4-tetrahydropyrimidine?
The IUPAC name of 2-prop-2-enyl-1,2,3,4-tetrahydropyrimidine (CID 67831470) is 2-prop-2-enyl-1,2,3,4-tetrahydropyrimidine.
What is the SMILES notation for 2-prop-2-enyl-1,2,3,4-tetrahydropyrimidine?
The canonical SMILES for 2-prop-2-enyl-1,2,3,4-tetrahydropyrimidine is C=CCC1NC=CCN1.
What is the InChIKey of 2-prop-2-enyl-1,2,3,4-tetrahydropyrimidine?
The InChIKey is UHHIJRQJUBICGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-4-7-8-5-3-6-9-7/h2-3,5,7-9H,1,4,6H2.
What are the key properties of 2-prop-2-enyl-1,2,3,4-tetrahydropyrimidine?
2-prop-2-enyl-1,2,3,4-tetrahydropyrimidine has a molecular weight of 124.19 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-1,2,3,4-tetrahydropyrimidine is sourced from PubChem (CID 67831470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).