5-methylidene-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4-dione

C11H14N2O2 — CID 10560208

IUPAC5-methylidene-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4-dione
SMILESC=CCN1CC(=C)C(=O)N(CC=C)C1=O
InChIInChI=1S/C11H14N2O2/c1-4-6-12-8-9(3)10(14)13(7-5-2)11(12)15/h4-5H,1-3,6-8H2
InChIKeySHAKHALWIVIDFO-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.18
Rot. Bonds4

About 5-methylidene-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4-dione

5-methylidene-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4-dione (PubChem CID 10560208) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 5-methylidene-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-methylidene-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4-dione
PubChem CID10560208
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name5-methylidene-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4-dione
SMILESC=CCN1CC(=C)C(=O)N(CC=C)C1=O
InChIInChI=1S/C11H14N2O2/c1-4-6-12-8-9(3)10(14)13(7-5-2)11(12)15/h4-5H,1-3,6-8H2
InChIKeySHAKHALWIVIDFO-UHFFFAOYSA-N
XLogP1.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N(1),N(3)-Diallylthymine
CID 748590
Barbituric acid, 1,3-diallyl-
CID 3026947
1,3-Dimethyl-5-methylenebarbiturate
CID 12910100
5-Methylidene-1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione
CID 10608523
1,3-Dibutyl-5-methylidene-1,3-diazinane-2,4-dione
CID 10728645
1-(3-Acetyl-5-methylidene-1,3-diazinan-1-yl)ethanone
CID 10511635
1,3-Bis(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione
CID 15065992
2-Methyl-1-[2,4,6-trimethyl-3,5-bis(2-methylprop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one
CID 20234764
5-Ethylidene-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 20693559
1,3-Diethyl-5-methylidene-1,3-diazinane-2,4,6-trione
CID 23558162
5-Methylidene-1,3-bis(prop-2-enyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 54002128
2-Methyl-1-[3-(2-methylprop-2-enoyl)-5-prop-2-enoyl-1,3,5-triazinan-1-yl]prop-2-en-1-one
CID 56609814

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 5-methylidene-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4-dione (CID 10560208) is 5-methylidene-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-methylidene-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-methylidene-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4-dione is C=CCN1CC(=C)C(=O)N(CC=C)C1=O.
What is the InChIKey of 5-methylidene-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4-dione?
The InChIKey is SHAKHALWIVIDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-4-6-12-8-9(3)10(14)13(7-5-2)11(12)15/h4-5H,1-3,6-8H2.
What are the key properties of 5-methylidene-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4-dione?
5-methylidene-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4-dione has a molecular weight of 206.24 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 10560208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).