1-(2-fluoroprop-2-enoyl)piperazine-2-carbonitrile

C8H10FN3O — CID 155267417

IUPAC1-(2-fluoroprop-2-enoyl)piperazine-2-carbonitrile
SMILESC=C(F)C(=O)N1CCNCC1C#N
InChIInChI=1S/C8H10FN3O/c1-6(9)8(13)12-3-2-11-5-7(12)4-10/h7,11H,1-3,5H2
InChIKeyVCCCVOJFTNQPJW-UHFFFAOYSA-N
MW183.19 g/mol
LogP-0.21
Rot. Bonds1

About 1-(2-fluoroprop-2-enoyl)piperazine-2-carbonitrile

1-(2-fluoroprop-2-enoyl)piperazine-2-carbonitrile (PubChem CID 155267417) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is 1-(2-fluoroprop-2-enoyl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(2-fluoroprop-2-enoyl)piperazine-2-carbonitrile
PubChem CID155267417
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name1-(2-fluoroprop-2-enoyl)piperazine-2-carbonitrile
SMILESC=C(F)C(=O)N1CCNCC1C#N
InChIInChI=1S/C8H10FN3O/c1-6(9)8(13)12-3-2-11-5-7(12)4-10/h7,11H,1-3,5H2
InChIKeyVCCCVOJFTNQPJW-UHFFFAOYSA-N
XLogP-0.21
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 5-0.21
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

1-(3-Aminopiperidin-1-yl)-2-fluoroprop-2-en-1-one
CID 118426230
2-Fluoro-1-[3-(methylamino)piperidin-1-yl]prop-2-en-1-one
CID 123204702
1-[3-(Difluoromethyl)piperazin-1-yl]prop-2-en-1-one
CID 148667503
2-Fluoro-1-piperazin-1-ylprop-2-en-1-one
CID 149093211
2-[(2S)-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile
CID 149120935
2-fluoro-1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-one
CID 153584656
(2S)-1-(2-fluoroprop-2-enoyl)piperazine-2-carbonitrile
CID 153584669
2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-methylpiperazin-2-yl]acetonitrile
CID 156062204
2-[1-(2-Fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile
CID 156062206
2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-iodopiperazin-2-yl]acetonitrile
CID 156062317
2-[1-(2-Fluoroprop-2-enoyl)-4-methylpiperazin-2-yl]acetonitrile
CID 162736705
2-fluoro-1-[(2R)-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one
CID 171611829

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroprop-2-enoyl)piperazine-2-carbonitrile?
The IUPAC name of 1-(2-fluoroprop-2-enoyl)piperazine-2-carbonitrile (CID 155267417) is 1-(2-fluoroprop-2-enoyl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(2-fluoroprop-2-enoyl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(2-fluoroprop-2-enoyl)piperazine-2-carbonitrile is C=C(F)C(=O)N1CCNCC1C#N.
What is the InChIKey of 1-(2-fluoroprop-2-enoyl)piperazine-2-carbonitrile?
The InChIKey is VCCCVOJFTNQPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O/c1-6(9)8(13)12-3-2-11-5-7(12)4-10/h7,11H,1-3,5H2.
What are the key properties of 1-(2-fluoroprop-2-enoyl)piperazine-2-carbonitrile?
1-(2-fluoroprop-2-enoyl)piperazine-2-carbonitrile has a molecular weight of 183.19 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroprop-2-enoyl)piperazine-2-carbonitrile is sourced from PubChem (CID 155267417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).