3,3-dimethyl-5-methylidenepiperazin-2-one

C7H12N2O — CID 59533858

IUPAC3,3-dimethyl-5-methylidenepiperazin-2-one
SMILESC=C1CNC(=O)C(C)(C)N1
InChIInChI=1S/C7H12N2O/c1-5-4-8-6(10)7(2,3)9-5/h9H,1,4H2,2-3H3,(H,8,10)
InChIKeyUQGFELGDVALKRS-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.00
Rot. Bonds

About 3,3-dimethyl-5-methylidenepiperazin-2-one

3,3-dimethyl-5-methylidenepiperazin-2-one (PubChem CID 59533858) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3,3-dimethyl-5-methylidenepiperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-5-methylidenepiperazin-2-one
PubChem CID59533858
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3,3-dimethyl-5-methylidenepiperazin-2-one
SMILESC=C1CNC(=O)C(C)(C)N1
InChIInChI=1S/C7H12N2O/c1-5-4-8-6(10)7(2,3)9-5/h9H,1,4H2,2-3H3,(H,8,10)
InChIKeyUQGFELGDVALKRS-UHFFFAOYSA-N
XLogP-0.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-methylidenepiperazin-2-one?
The IUPAC name of 3,3-dimethyl-5-methylidenepiperazin-2-one (CID 59533858) is 3,3-dimethyl-5-methylidenepiperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-5-methylidenepiperazin-2-one?
The canonical SMILES for 3,3-dimethyl-5-methylidenepiperazin-2-one is C=C1CNC(=O)C(C)(C)N1.
What is the InChIKey of 3,3-dimethyl-5-methylidenepiperazin-2-one?
The InChIKey is UQGFELGDVALKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5-4-8-6(10)7(2,3)9-5/h9H,1,4H2,2-3H3,(H,8,10).
What are the key properties of 3,3-dimethyl-5-methylidenepiperazin-2-one?
3,3-dimethyl-5-methylidenepiperazin-2-one has a molecular weight of 140.19 g/mol, XLogP of -0.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-methylidenepiperazin-2-one is sourced from PubChem (CID 59533858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).