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

C8H14N2O — CID 159398436

IUPAC6-methylidene-1-propan-2-yl-1,3-diazinan-2-one
SMILESC=C1CCNC(=O)N1C(C)C
InChIInChI=1S/C8H14N2O/c1-6(2)10-7(3)4-5-9-8(10)11/h6H,3-5H2,1-2H3,(H,9,11)
InChIKeyLNAKORBNGFVJBJ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.32
Rot. Bonds1

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

6-methylidene-1-propan-2-yl-1,3-diazinan-2-one (PubChem CID 159398436) 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-2-one.

Molecular Properties

Compound Name6-methylidene-1-propan-2-yl-1,3-diazinan-2-one
PubChem CID159398436
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name6-methylidene-1-propan-2-yl-1,3-diazinan-2-one
SMILESC=C1CCNC(=O)N1C(C)C
InChIInChI=1S/C8H14N2O/c1-6(2)10-7(3)4-5-9-8(10)11/h6H,3-5H2,1-2H3,(H,9,11)
InChIKeyLNAKORBNGFVJBJ-UHFFFAOYSA-N
XLogP1.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-1-propan-2-yl-1,3-diazinan-2-one?
The IUPAC name of 6-methylidene-1-propan-2-yl-1,3-diazinan-2-one (CID 159398436) is 6-methylidene-1-propan-2-yl-1,3-diazinan-2-one.
What is the SMILES notation for 6-methylidene-1-propan-2-yl-1,3-diazinan-2-one?
The canonical SMILES for 6-methylidene-1-propan-2-yl-1,3-diazinan-2-one is C=C1CCNC(=O)N1C(C)C.
What is the InChIKey of 6-methylidene-1-propan-2-yl-1,3-diazinan-2-one?
The InChIKey is LNAKORBNGFVJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)10-7(3)4-5-9-8(10)11/h6H,3-5H2,1-2H3,(H,9,11).
What are the key properties of 6-methylidene-1-propan-2-yl-1,3-diazinan-2-one?
6-methylidene-1-propan-2-yl-1,3-diazinan-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-1-propan-2-yl-1,3-diazinan-2-one is sourced from PubChem (CID 159398436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).