(3Z,6S)-3-ethylidene-6-methylpiperazine-2,5-dione

C7H10N2O2 — CID 134892545

IUPAC(3Z,6S)-3-ethylidene-6-methylpiperazine-2,5-dione
SMILESC/C=C1\NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C7H10N2O2/c1-3-5-7(11)8-4(2)6(10)9-5/h3-4H,1-2H3,(H,8,11)(H,9,10)/b5-3-/t4-/m0/s1
InChIKeySHRQVDWMQWXTAT-BNWFAOCJSA-N
MW154.17 g/mol
LogP-0.48
Rot. Bonds

About (3Z,6S)-3-ethylidene-6-methylpiperazine-2,5-dione

(3Z,6S)-3-ethylidene-6-methylpiperazine-2,5-dione (PubChem CID 134892545) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (3Z,6S)-3-ethylidene-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3Z,6S)-3-ethylidene-6-methylpiperazine-2,5-dione
PubChem CID134892545
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name(3Z,6S)-3-ethylidene-6-methylpiperazine-2,5-dione
SMILESC/C=C1\NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C7H10N2O2/c1-3-5-7(11)8-4(2)6(10)9-5/h3-4H,1-2H3,(H,8,11)(H,9,10)/b5-3-/t4-/m0/s1
InChIKeySHRQVDWMQWXTAT-BNWFAOCJSA-N
XLogP-0.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
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 (3Z,6S)-3-ethylidene-6-methylpiperazine-2,5-dione?
The IUPAC name of (3Z,6S)-3-ethylidene-6-methylpiperazine-2,5-dione (CID 134892545) is (3Z,6S)-3-ethylidene-6-methylpiperazine-2,5-dione.
What is the SMILES notation for (3Z,6S)-3-ethylidene-6-methylpiperazine-2,5-dione?
The canonical SMILES for (3Z,6S)-3-ethylidene-6-methylpiperazine-2,5-dione is C/C=C1\NC(=O)[C@H](C)NC1=O.
What is the InChIKey of (3Z,6S)-3-ethylidene-6-methylpiperazine-2,5-dione?
The InChIKey is SHRQVDWMQWXTAT-BNWFAOCJSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-5-7(11)8-4(2)6(10)9-5/h3-4H,1-2H3,(H,8,11)(H,9,10)/b5-3-/t4-/m0/s1.
What are the key properties of (3Z,6S)-3-ethylidene-6-methylpiperazine-2,5-dione?
(3Z,6S)-3-ethylidene-6-methylpiperazine-2,5-dione has a molecular weight of 154.17 g/mol, XLogP of -0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6S)-3-ethylidene-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 134892545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).