6-methylidene-1-propan-2-yl-1,3-diazinan-4-one

C8H14N2O — CID 161088871

IUPAC6-methylidene-1-propan-2-yl-1,3-diazinan-4-one
SMILESC=C1CC(=O)NCN1C(C)C
InChIInChI=1S/C8H14N2O/c1-6(2)10-5-9-8(11)4-7(10)3/h6H,3-5H2,1-2H3,(H,9,11)
InChIKeyXXPUFMCTXVXATA-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.69
Rot. Bonds1

About 6-methylidene-1-propan-2-yl-1,3-diazinan-4-one

6-methylidene-1-propan-2-yl-1,3-diazinan-4-one (PubChem CID 161088871) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 6-methylidene-1-propan-2-yl-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-methylidene-1-propan-2-yl-1,3-diazinan-4-one
PubChem CID161088871
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name6-methylidene-1-propan-2-yl-1,3-diazinan-4-one
SMILESC=C1CC(=O)NCN1C(C)C
InChIInChI=1S/C8H14N2O/c1-6(2)10-5-9-8(11)4-7(10)3/h6H,3-5H2,1-2H3,(H,9,11)
InChIKeyXXPUFMCTXVXATA-UHFFFAOYSA-N
XLogP0.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methylidene-1-propan-2-yl-1,3-diazinan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methylidene-1-propan-2-yl-1,3-diazinan-4-one
CID 72235174
6-Methylidene-1,3-diazinan-4-one
CID 121369904
1,3-Dimethyl-2,6-dimethylidene-1,3-diazinan-4-one
CID 130281940
2-Methyl-1,2,3,6,7,8-hexahydropyrido[1,2-a]pyrimidin-4-one
CID 142685818
1-Methyl-6-methylidene-1,3-diazinane-2,4-dione
CID 143328426
1-Methyl-6-methylidene-1,3-diazinan-4-one
CID 143917902
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
6-Methylidene-1-propan-2-yl-1,3-diazinan-2-one
CID 159398436
2-Methyl-1,2,3,4a,5,6-hexahydropyrrolo[3,4-d]pyrimidin-4-one
CID 164000537
1-(1-propan-2-yl-3,4-dihydro-2H-pyridin-5-yl)-1,3-diazinane-2,4-dione
CID 166113119
1-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)-1,3-diazinane-2,4-dione
CID 169823265

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-1-propan-2-yl-1,3-diazinan-4-one?
The IUPAC name of 6-methylidene-1-propan-2-yl-1,3-diazinan-4-one (CID 161088871) is 6-methylidene-1-propan-2-yl-1,3-diazinan-4-one.
What is the SMILES notation for 6-methylidene-1-propan-2-yl-1,3-diazinan-4-one?
The canonical SMILES for 6-methylidene-1-propan-2-yl-1,3-diazinan-4-one is C=C1CC(=O)NCN1C(C)C.
What is the InChIKey of 6-methylidene-1-propan-2-yl-1,3-diazinan-4-one?
The InChIKey is XXPUFMCTXVXATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)10-5-9-8(11)4-7(10)3/h6H,3-5H2,1-2H3,(H,9,11).
What are the key properties of 6-methylidene-1-propan-2-yl-1,3-diazinan-4-one?
6-methylidene-1-propan-2-yl-1,3-diazinan-4-one has a molecular weight of 154.21 g/mol, XLogP of 0.69, 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-diazinan-4-one is sourced from PubChem (CID 161088871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).