6-methylidene-1-propan-2-yl-1,3-diazinane-2,4-dione

C8H12N2O2 — CID 161088870

IUPAC6-methylidene-1-propan-2-yl-1,3-diazinane-2,4-dione
SMILESC=C1CC(=O)NC(=O)N1C(C)C
InChIInChI=1S/C8H12N2O2/c1-5(2)10-6(3)4-7(11)9-8(10)12/h5H,3-4H2,1-2H3,(H,9,11,12)
InChIKeySGYQBXHVBFEASW-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.85
Rot. Bonds1

About 6-methylidene-1-propan-2-yl-1,3-diazinane-2,4-dione

6-methylidene-1-propan-2-yl-1,3-diazinane-2,4-dione (PubChem CID 161088870) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 6-methylidene-1-propan-2-yl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-methylidene-1-propan-2-yl-1,3-diazinane-2,4-dione
PubChem CID161088870
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name6-methylidene-1-propan-2-yl-1,3-diazinane-2,4-dione
SMILESC=C1CC(=O)NC(=O)N1C(C)C
InChIInChI=1S/C8H12N2O2/c1-5(2)10-6(3)4-7(11)9-8(10)12/h5H,3-4H2,1-2H3,(H,9,11,12)
InChIKeySGYQBXHVBFEASW-UHFFFAOYSA-N
XLogP0.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Fluoro-1-pent-4-en-2-yl-1,3-diazinane-2,4,6-trione
CID 116044387
1-But-3-en-2-yl-5-fluoro-1,3-diazinane-2,4,6-trione
CID 116152577
1,3-Dimethyl-6-methylidene-1,3-diazinane-2,4-dione
CID 54123646
Ethane;5-methyl-6-methylidene-1,3-diazinane-2,4-dione
CID 143251897
1-Methyl-6-methylidene-1,3-diazinane-2,4-dione
CID 143328426
1-Methyl-6-methylidene-1,3-diazinan-4-one
CID 143917902
1,3-Dimethyl-6-methylidene-1,3-diazinane-2,4-dione;ethane
CID 145139200
1-[(E)-but-2-en-2-yl]-1,3-diazinane-2,4-dione
CID 156707021
4-Methylidene-1-propan-2-yl-1,3-diazinan-2-one
CID 157528265
5-[Methyl(prop-1-en-2-yl)amino]-1,3-diazinane-2,4,6-trione
CID 163664662
(Z)-4-amino-3-[[carbamoyl(methyl)carbamoyl]amino]but-3-enamide
CID 164055200
1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)-1,3-diazinane-2,4-dione
CID 166112948

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-1-propan-2-yl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-methylidene-1-propan-2-yl-1,3-diazinane-2,4-dione (CID 161088870) is 6-methylidene-1-propan-2-yl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-methylidene-1-propan-2-yl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-methylidene-1-propan-2-yl-1,3-diazinane-2,4-dione is C=C1CC(=O)NC(=O)N1C(C)C.
What is the InChIKey of 6-methylidene-1-propan-2-yl-1,3-diazinane-2,4-dione?
The InChIKey is SGYQBXHVBFEASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5(2)10-6(3)4-7(11)9-8(10)12/h5H,3-4H2,1-2H3,(H,9,11,12).
What are the key properties of 6-methylidene-1-propan-2-yl-1,3-diazinane-2,4-dione?
6-methylidene-1-propan-2-yl-1,3-diazinane-2,4-dione has a molecular weight of 168.20 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-1-propan-2-yl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 161088870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).