(6R)-3-methylidene-6-propan-2-ylpiperazine-2,5-dione

C8H12N2O2 — CID 131192964

IUPAC(6R)-3-methylidene-6-propan-2-ylpiperazine-2,5-dione
SMILESC=C1NC(=O)[C@@H](C(C)C)NC1=O
InChIInChI=1S/C8H12N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4,6H,3H2,1-2H3,(H,9,12)(H,10,11)/t6-/m1/s1
InChIKeyNFYRGJUKSGFWQF-ZCFIWIBFSA-N
MW168.20 g/mol
LogP-0.23
Rot. Bonds1

About (6R)-3-methylidene-6-propan-2-ylpiperazine-2,5-dione

(6R)-3-methylidene-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 131192964) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (6R)-3-methylidene-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name(6R)-3-methylidene-6-propan-2-ylpiperazine-2,5-dione
PubChem CID131192964
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(6R)-3-methylidene-6-propan-2-ylpiperazine-2,5-dione
SMILESC=C1NC(=O)[C@@H](C(C)C)NC1=O
InChIInChI=1S/C8H12N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4,6H,3H2,1-2H3,(H,9,12)(H,10,11)/t6-/m1/s1
InChIKeyNFYRGJUKSGFWQF-ZCFIWIBFSA-N
XLogP-0.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.23
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 (6R)-3-methylidene-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of (6R)-3-methylidene-6-propan-2-ylpiperazine-2,5-dione (CID 131192964) is (6R)-3-methylidene-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for (6R)-3-methylidene-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for (6R)-3-methylidene-6-propan-2-ylpiperazine-2,5-dione is C=C1NC(=O)[C@@H](C(C)C)NC1=O.
What is the InChIKey of (6R)-3-methylidene-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is NFYRGJUKSGFWQF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4,6H,3H2,1-2H3,(H,9,12)(H,10,11)/t6-/m1/s1.
What are the key properties of (6R)-3-methylidene-6-propan-2-ylpiperazine-2,5-dione?
(6R)-3-methylidene-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 168.20 g/mol, XLogP of -0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-methylidene-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 131192964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).