1-(1-methylimidazol-4-yl)-4-prop-2-enoylpiperazin-2-one

C11H14N4O2 — CID 162624824

IUPAC1-(1-methylimidazol-4-yl)-4-prop-2-enoylpiperazin-2-one
SMILESC=CC(=O)N1CCN(c2cn(C)cn2)C(=O)C1
InChIInChI=1S/C11H14N4O2/c1-3-10(16)14-4-5-15(11(17)7-14)9-6-13(2)8-12-9/h3,6,8H,1,4-5,7H2,2H3
InChIKeyKCDOJRWASCUNPY-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.22
Rot. Bonds2

About 1-(1-methylimidazol-4-yl)-4-prop-2-enoylpiperazin-2-one

1-(1-methylimidazol-4-yl)-4-prop-2-enoylpiperazin-2-one (PubChem CID 162624824) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)-4-prop-2-enoylpiperazin-2-one.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)-4-prop-2-enoylpiperazin-2-one
PubChem CID162624824
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name1-(1-methylimidazol-4-yl)-4-prop-2-enoylpiperazin-2-one
SMILESC=CC(=O)N1CCN(c2cn(C)cn2)C(=O)C1
InChIInChI=1S/C11H14N4O2/c1-3-10(16)14-4-5-15(11(17)7-14)9-6-13(2)8-12-9/h3,6,8H,1,4-5,7H2,2H3
InChIKeyKCDOJRWASCUNPY-UHFFFAOYSA-N
XLogP-0.22
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-(1-methylimidazol-4-yl)-4-prop-2-enoylpiperazin-2-one?
The IUPAC name of 1-(1-methylimidazol-4-yl)-4-prop-2-enoylpiperazin-2-one (CID 162624824) is 1-(1-methylimidazol-4-yl)-4-prop-2-enoylpiperazin-2-one.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)-4-prop-2-enoylpiperazin-2-one?
The canonical SMILES for 1-(1-methylimidazol-4-yl)-4-prop-2-enoylpiperazin-2-one is C=CC(=O)N1CCN(c2cn(C)cn2)C(=O)C1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)-4-prop-2-enoylpiperazin-2-one?
The InChIKey is KCDOJRWASCUNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-3-10(16)14-4-5-15(11(17)7-14)9-6-13(2)8-12-9/h3,6,8H,1,4-5,7H2,2H3.
What are the key properties of 1-(1-methylimidazol-4-yl)-4-prop-2-enoylpiperazin-2-one?
1-(1-methylimidazol-4-yl)-4-prop-2-enoylpiperazin-2-one has a molecular weight of 234.26 g/mol, XLogP of -0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)-4-prop-2-enoylpiperazin-2-one is sourced from PubChem (CID 162624824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).