4-prop-2-enoylpiperazine-1-carboxylic acid

C8H12N2O3 — CID 21109165

IUPAC4-prop-2-enoylpiperazine-1-carboxylic acid
SMILESC=CC(=O)N1CCN(C(=O)O)CC1
InChIInChI=1S/C8H12N2O3/c1-2-7(11)9-3-5-10(6-4-9)8(12)13/h2H,1,3-6H2,(H,12,13)
InChIKeyZZPFNNHWRPRIIV-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.01
Rot. Bonds1

About 4-prop-2-enoylpiperazine-1-carboxylic acid

4-prop-2-enoylpiperazine-1-carboxylic acid (PubChem CID 21109165) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 4-prop-2-enoylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-prop-2-enoylpiperazine-1-carboxylic acid
PubChem CID21109165
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name4-prop-2-enoylpiperazine-1-carboxylic acid
SMILESC=CC(=O)N1CCN(C(=O)O)CC1
InChIInChI=1S/C8H12N2O3/c1-2-7(11)9-3-5-10(6-4-9)8(12)13/h2H,1,3-6H2,(H,12,13)
InChIKeyZZPFNNHWRPRIIV-UHFFFAOYSA-N
XLogP-0.01
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.01
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 4-prop-2-enoylpiperazine-1-carboxylic acid?
The IUPAC name of 4-prop-2-enoylpiperazine-1-carboxylic acid (CID 21109165) is 4-prop-2-enoylpiperazine-1-carboxylic acid.
What is the SMILES notation for 4-prop-2-enoylpiperazine-1-carboxylic acid?
The canonical SMILES for 4-prop-2-enoylpiperazine-1-carboxylic acid is C=CC(=O)N1CCN(C(=O)O)CC1.
What is the InChIKey of 4-prop-2-enoylpiperazine-1-carboxylic acid?
The InChIKey is ZZPFNNHWRPRIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-2-7(11)9-3-5-10(6-4-9)8(12)13/h2H,1,3-6H2,(H,12,13).
What are the key properties of 4-prop-2-enoylpiperazine-1-carboxylic acid?
4-prop-2-enoylpiperazine-1-carboxylic acid has a molecular weight of 184.19 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoylpiperazine-1-carboxylic acid is sourced from PubChem (CID 21109165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).