1,3-dibutyl-5-methylidene-1,3-diazinane-2,4-dione

C13H22N2O2 — CID 10728645

IUPAC1,3-dibutyl-5-methylidene-1,3-diazinane-2,4-dione
SMILESC=C1CN(CCCC)C(=O)N(CCCC)C1=O
InChIInChI=1S/C13H22N2O2/c1-4-6-8-14-10-11(3)12(16)15(13(14)17)9-7-5-2/h3-10H2,1-2H3
InChIKeyMUFWYVIDZMDVHW-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.41
Rot. Bonds6

About 1,3-dibutyl-5-methylidene-1,3-diazinane-2,4-dione

1,3-dibutyl-5-methylidene-1,3-diazinane-2,4-dione (PubChem CID 10728645) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1,3-dibutyl-5-methylidene-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1,3-dibutyl-5-methylidene-1,3-diazinane-2,4-dione
PubChem CID10728645
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1,3-dibutyl-5-methylidene-1,3-diazinane-2,4-dione
SMILESC=C1CN(CCCC)C(=O)N(CCCC)C1=O
InChIInChI=1S/C13H22N2O2/c1-4-6-8-14-10-11(3)12(16)15(13(14)17)9-7-5-2/h3-10H2,1-2H3
InChIKeyMUFWYVIDZMDVHW-UHFFFAOYSA-N
XLogP2.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-(Dimethylaminomethylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 319885
1,3-Dimethyl-5-methylenebarbiturate
CID 12910100
1,3-Dibutyl-5-methylpyrimidine-2,4-dione
CID 24976225
N,N'-Carbonylbis(N,2-dimethylprop-2-enamide)
CID 71414217
5-Methyl-1,3-bis(3-oxobutyl)pyrimidine-2,4-dione
CID 134833394
1-(3-Fluoropropyl)-3-(2-methylidenebutyl)-1,3-diazinane-2,4-dione
CID 146099243
5-Methylidene-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4-dione
CID 10560208
5-Methylidene-1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione
CID 10608523
5-Methyl-1,3-dipropylpyrimidine-2,4-dione
CID 10727170
1,3-Dimethyl-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione
CID 15060331
1-[3,5-Bis(2-methylprop-2-enoyl)-1,3,5-triazinan-1-yl]-2-methylprop-2-en-1-one
CID 9796057
1-(3-Acetyl-5-methylidene-1,3-diazinan-1-yl)ethanone
CID 10511635

Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-5-methylidene-1,3-diazinane-2,4-dione?
The IUPAC name of 1,3-dibutyl-5-methylidene-1,3-diazinane-2,4-dione (CID 10728645) is 1,3-dibutyl-5-methylidene-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1,3-dibutyl-5-methylidene-1,3-diazinane-2,4-dione?
The canonical SMILES for 1,3-dibutyl-5-methylidene-1,3-diazinane-2,4-dione is C=C1CN(CCCC)C(=O)N(CCCC)C1=O.
What is the InChIKey of 1,3-dibutyl-5-methylidene-1,3-diazinane-2,4-dione?
The InChIKey is MUFWYVIDZMDVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-6-8-14-10-11(3)12(16)15(13(14)17)9-7-5-2/h3-10H2,1-2H3.
What are the key properties of 1,3-dibutyl-5-methylidene-1,3-diazinane-2,4-dione?
1,3-dibutyl-5-methylidene-1,3-diazinane-2,4-dione has a molecular weight of 238.33 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-5-methylidene-1,3-diazinane-2,4-dione is sourced from PubChem (CID 10728645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).