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

C7H10N2O2 — CID 10534880

IUPAC(6S)-1,6-dimethyl-3-methylidenepiperazine-2,5-dione
SMILESC=C1NC(=O)[C@H](C)N(C)C1=O
InChIInChI=1S/C7H10N2O2/c1-4-7(11)9(3)5(2)6(10)8-4/h5H,1H2,2-3H3,(H,8,10)/t5-/m0/s1
InChIKeyKLUUTMNTIHRVMX-YFKPBYRVSA-N
MW154.17 g/mol
LogP-0.52
Rot. Bonds

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

(6S)-1,6-dimethyl-3-methylidenepiperazine-2,5-dione (PubChem CID 10534880) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (6S)-1,6-dimethyl-3-methylidenepiperazine-2,5-dione.

Molecular Properties

Compound Name(6S)-1,6-dimethyl-3-methylidenepiperazine-2,5-dione
PubChem CID10534880
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name(6S)-1,6-dimethyl-3-methylidenepiperazine-2,5-dione
SMILESC=C1NC(=O)[C@H](C)N(C)C1=O
InChIInChI=1S/C7H10N2O2/c1-4-7(11)9(3)5(2)6(10)8-4/h5H,1H2,2-3H3,(H,8,10)/t5-/m0/s1
InChIKeyKLUUTMNTIHRVMX-YFKPBYRVSA-N
XLogP-0.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-1,6-dimethyl-3-methylidenepiperazine-2,5-dione?
The IUPAC name of (6S)-1,6-dimethyl-3-methylidenepiperazine-2,5-dione (CID 10534880) is (6S)-1,6-dimethyl-3-methylidenepiperazine-2,5-dione.
What is the SMILES notation for (6S)-1,6-dimethyl-3-methylidenepiperazine-2,5-dione?
The canonical SMILES for (6S)-1,6-dimethyl-3-methylidenepiperazine-2,5-dione is C=C1NC(=O)[C@H](C)N(C)C1=O.
What is the InChIKey of (6S)-1,6-dimethyl-3-methylidenepiperazine-2,5-dione?
The InChIKey is KLUUTMNTIHRVMX-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4-7(11)9(3)5(2)6(10)8-4/h5H,1H2,2-3H3,(H,8,10)/t5-/m0/s1.
What are the key properties of (6S)-1,6-dimethyl-3-methylidenepiperazine-2,5-dione?
(6S)-1,6-dimethyl-3-methylidenepiperazine-2,5-dione has a molecular weight of 154.17 g/mol, XLogP of -0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1,6-dimethyl-3-methylidenepiperazine-2,5-dione is sourced from PubChem (CID 10534880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).