(6S)-1-acetyl-6-methyl-3-methylidenepiperazine-2,5-dione

C8H10N2O3 — CID 11240827

IUPAC(6S)-1-acetyl-6-methyl-3-methylidenepiperazine-2,5-dione
SMILESC=C1NC(=O)[C@H](C)N(C(C)=O)C1=O
InChIInChI=1S/C8H10N2O3/c1-4-8(13)10(6(3)11)5(2)7(12)9-4/h5H,1H2,2-3H3,(H,9,12)/t5-/m0/s1
InChIKeySXEHYYSVAIXDLR-YFKPBYRVSA-N
MW182.18 g/mol
LogP-0.61
Rot. Bonds

About (6S)-1-acetyl-6-methyl-3-methylidenepiperazine-2,5-dione

(6S)-1-acetyl-6-methyl-3-methylidenepiperazine-2,5-dione (PubChem CID 11240827) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is (6S)-1-acetyl-6-methyl-3-methylidenepiperazine-2,5-dione.

Molecular Properties

Compound Name(6S)-1-acetyl-6-methyl-3-methylidenepiperazine-2,5-dione
PubChem CID11240827
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name(6S)-1-acetyl-6-methyl-3-methylidenepiperazine-2,5-dione
SMILESC=C1NC(=O)[C@H](C)N(C(C)=O)C1=O
InChIInChI=1S/C8H10N2O3/c1-4-8(13)10(6(3)11)5(2)7(12)9-4/h5H,1H2,2-3H3,(H,9,12)/t5-/m0/s1
InChIKeySXEHYYSVAIXDLR-YFKPBYRVSA-N
XLogP-0.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6S)-1-acetyl-6-methyl-3-methylidenepiperazine-2,5-dione?
The IUPAC name of (6S)-1-acetyl-6-methyl-3-methylidenepiperazine-2,5-dione (CID 11240827) is (6S)-1-acetyl-6-methyl-3-methylidenepiperazine-2,5-dione.
What is the SMILES notation for (6S)-1-acetyl-6-methyl-3-methylidenepiperazine-2,5-dione?
The canonical SMILES for (6S)-1-acetyl-6-methyl-3-methylidenepiperazine-2,5-dione is C=C1NC(=O)[C@H](C)N(C(C)=O)C1=O.
What is the InChIKey of (6S)-1-acetyl-6-methyl-3-methylidenepiperazine-2,5-dione?
The InChIKey is SXEHYYSVAIXDLR-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-4-8(13)10(6(3)11)5(2)7(12)9-4/h5H,1H2,2-3H3,(H,9,12)/t5-/m0/s1.
What are the key properties of (6S)-1-acetyl-6-methyl-3-methylidenepiperazine-2,5-dione?
(6S)-1-acetyl-6-methyl-3-methylidenepiperazine-2,5-dione has a molecular weight of 182.18 g/mol, XLogP of -0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-acetyl-6-methyl-3-methylidenepiperazine-2,5-dione is sourced from PubChem (CID 11240827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).