1,3-dimethyl-5-prop-2-enyl-1,3,5-triazinan-2-one

C8H15N3O — CID 101375506

IUPAC1,3-dimethyl-5-prop-2-enyl-1,3,5-triazinan-2-one
SMILESC=CCN1CN(C)C(=O)N(C)C1
InChIInChI=1S/C8H15N3O/c1-4-5-11-6-9(2)8(12)10(3)7-11/h4H,1,5-7H2,2-3H3
InChIKeyCKXIMUVYXJGCCE-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.39
Rot. Bonds2

About 1,3-dimethyl-5-prop-2-enyl-1,3,5-triazinan-2-one

1,3-dimethyl-5-prop-2-enyl-1,3,5-triazinan-2-one (PubChem CID 101375506) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1,3-dimethyl-5-prop-2-enyl-1,3,5-triazinan-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-prop-2-enyl-1,3,5-triazinan-2-one
PubChem CID101375506
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1,3-dimethyl-5-prop-2-enyl-1,3,5-triazinan-2-one
SMILESC=CCN1CN(C)C(=O)N(C)C1
InChIInChI=1S/C8H15N3O/c1-4-5-11-6-9(2)8(12)10(3)7-11/h4H,1,5-7H2,2-3H3
InChIKeyCKXIMUVYXJGCCE-UHFFFAOYSA-N
XLogP0.39
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione
CID 15620660
1-methyl-4-prop-2-enylpiperazine-2,5-dione
CID 117026284
1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4-dione
CID 15051391
1,3-dimethyl-5-propan-2-yl-1,3,5-triazinan-2-one
CID 15395303
3,3-dimethyl-1-prop-2-enylpiperidin-4-one
CID 117024262
2-[2-(3,5-dimethyl-4-oxo-1,3,5-triazinan-1-yl)ethoxy]acetic acid
CID 142694259
5-but-3-enyl-1-(3-ethyl-4-methyl-1,2-thiazol-5-yl)-3-methyl-1,3,5-triazinan-2-one
CID 21324090
1-butyl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 89280580
1-methyl-4-(2-methylpropyl)-3-prop-2-enyl-1,3-diazetidin-2-one
CID 135080777
1,4-dimethyl-2-prop-2-enylpyrazolidin-3-one
CID 13104228
1,3-dimethylimidazolidin-2-one;hydrate
CID 68782599
1-prop-2-enyl(213C)azinane
CID 173137320

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-prop-2-enyl-1,3,5-triazinan-2-one?
The IUPAC name of 1,3-dimethyl-5-prop-2-enyl-1,3,5-triazinan-2-one (CID 101375506) is 1,3-dimethyl-5-prop-2-enyl-1,3,5-triazinan-2-one.
What is the SMILES notation for 1,3-dimethyl-5-prop-2-enyl-1,3,5-triazinan-2-one?
The canonical SMILES for 1,3-dimethyl-5-prop-2-enyl-1,3,5-triazinan-2-one is C=CCN1CN(C)C(=O)N(C)C1.
What is the InChIKey of 1,3-dimethyl-5-prop-2-enyl-1,3,5-triazinan-2-one?
The InChIKey is CKXIMUVYXJGCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-5-11-6-9(2)8(12)10(3)7-11/h4H,1,5-7H2,2-3H3.
What are the key properties of 1,3-dimethyl-5-prop-2-enyl-1,3,5-triazinan-2-one?
1,3-dimethyl-5-prop-2-enyl-1,3,5-triazinan-2-one has a molecular weight of 169.23 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-prop-2-enyl-1,3,5-triazinan-2-one is sourced from PubChem (CID 101375506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).