6-methyl-1-prop-2-enoylpiperazin-2-one

C8H12N2O2 — CID 54390208

IUPAC6-methyl-1-prop-2-enoylpiperazin-2-one
SMILESC=CC(=O)N1C(=O)CNCC1C
InChIInChI=1S/C8H12N2O2/c1-3-7(11)10-6(2)4-9-5-8(10)12/h3,6,9H,1,4-5H2,2H3
InChIKeyVGCHJGUOAYVKED-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.48
Rot. Bonds1

About 6-methyl-1-prop-2-enoylpiperazin-2-one

6-methyl-1-prop-2-enoylpiperazin-2-one (PubChem CID 54390208) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 6-methyl-1-prop-2-enoylpiperazin-2-one.

Molecular Properties

Compound Name6-methyl-1-prop-2-enoylpiperazin-2-one
PubChem CID54390208
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name6-methyl-1-prop-2-enoylpiperazin-2-one
SMILESC=CC(=O)N1C(=O)CNCC1C
InChIInChI=1S/C8H12N2O2/c1-3-7(11)10-6(2)4-9-5-8(10)12/h3,6,9H,1,4-5H2,2H3
InChIKeyVGCHJGUOAYVKED-UHFFFAOYSA-N
XLogP-0.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.48
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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Related Compounds

3-Methyl-1-(prop-2-en-1-yl)piperazin-2-one
CID 20099299
2-(4-methylpiperazin-1-yl)-N-prop-2-enylpropanamide
CID 3229462
N,N'-propylenebisacrylamide
CID 14877244
2-Dimethylaminopropyl acrylamide
CID 21707846
1-(2,5-Dimethylpiperazin-1-yl)prop-2-en-1-one
CID 64979937
2-fluoro-1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-one
CID 153584656
2-fluoro-1-[(3R)-3-methylpiperazin-1-yl]prop-2-en-1-one
CID 175783775
N-methyl-N-[2-oxo-2-(1,1,1-trifluorobutan-2-ylamino)ethyl]prop-2-enamide
CID 154793372
(3S)-3-methyl-1-prop-2-enylpiperazine-2,5-dione
CID 10844831
Trimethyl-[2-(prop-2-enoylamino)propyl]azanium
CID 9877497
2-(1-Methyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide chloride
CID 18793256
2-(1-Methyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide
CID 18793257

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-prop-2-enoylpiperazin-2-one?
The IUPAC name of 6-methyl-1-prop-2-enoylpiperazin-2-one (CID 54390208) is 6-methyl-1-prop-2-enoylpiperazin-2-one.
What is the SMILES notation for 6-methyl-1-prop-2-enoylpiperazin-2-one?
The canonical SMILES for 6-methyl-1-prop-2-enoylpiperazin-2-one is C=CC(=O)N1C(=O)CNCC1C.
What is the InChIKey of 6-methyl-1-prop-2-enoylpiperazin-2-one?
The InChIKey is VGCHJGUOAYVKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-7(11)10-6(2)4-9-5-8(10)12/h3,6,9H,1,4-5H2,2H3.
What are the key properties of 6-methyl-1-prop-2-enoylpiperazin-2-one?
6-methyl-1-prop-2-enoylpiperazin-2-one has a molecular weight of 168.20 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-prop-2-enoylpiperazin-2-one is sourced from PubChem (CID 54390208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).