1-(1-prop-2-enoylpiperazin-1-ium-1-yl)prop-2-en-1-one

C10H15N2O2+ — CID 22761367

IUPAC1-(1-prop-2-enoylpiperazin-1-ium-1-yl)prop-2-en-1-one
SMILESC=CC(=O)[N+]1(C(=O)C=C)CCNCC1
InChIInChI=1S/C10H15N2O2/c1-3-9(13)12(10(14)4-2)7-5-11-6-8-12/h3-4,11H,1-2,5-8H2/q+1
InChIKeyLCPJIMSAKFPWIW-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.17
Rot. Bonds2

About 1-(1-prop-2-enoylpiperazin-1-ium-1-yl)prop-2-en-1-one

1-(1-prop-2-enoylpiperazin-1-ium-1-yl)prop-2-en-1-one (PubChem CID 22761367) has the molecular formula C10H15N2O2+ and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-(1-prop-2-enoylpiperazin-1-ium-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(1-prop-2-enoylpiperazin-1-ium-1-yl)prop-2-en-1-one
PubChem CID22761367
Molecular FormulaC10H15N2O2+
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name1-(1-prop-2-enoylpiperazin-1-ium-1-yl)prop-2-en-1-one
SMILESC=CC(=O)[N+]1(C(=O)C=C)CCNCC1
InChIInChI=1S/C10H15N2O2/c1-3-9(13)12(10(14)4-2)7-5-11-6-8-12/h3-4,11H,1-2,5-8H2/q+1
InChIKeyLCPJIMSAKFPWIW-UHFFFAOYSA-N
XLogP-0.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-prop-2-enoylpiperazin-1-ium-1-yl)prop-2-en-1-one?
The IUPAC name of 1-(1-prop-2-enoylpiperazin-1-ium-1-yl)prop-2-en-1-one (CID 22761367) is 1-(1-prop-2-enoylpiperazin-1-ium-1-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(1-prop-2-enoylpiperazin-1-ium-1-yl)prop-2-en-1-one?
The canonical SMILES for 1-(1-prop-2-enoylpiperazin-1-ium-1-yl)prop-2-en-1-one is C=CC(=O)[N+]1(C(=O)C=C)CCNCC1.
What is the InChIKey of 1-(1-prop-2-enoylpiperazin-1-ium-1-yl)prop-2-en-1-one?
The InChIKey is LCPJIMSAKFPWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2O2/c1-3-9(13)12(10(14)4-2)7-5-11-6-8-12/h3-4,11H,1-2,5-8H2/q+1.
What are the key properties of 1-(1-prop-2-enoylpiperazin-1-ium-1-yl)prop-2-en-1-one?
1-(1-prop-2-enoylpiperazin-1-ium-1-yl)prop-2-en-1-one has a molecular weight of 195.24 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-prop-2-enoylpiperazin-1-ium-1-yl)prop-2-en-1-one is sourced from PubChem (CID 22761367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).