2-[1-[(1R,4S)-4-aminocyclopent-2-en-1-yl]ethenyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane

C19H26F3N3O — CID 143085677

IUPAC2-[1-[(1R,4S)-4-aminocyclopent-2-en-1-yl]ethenyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane
SMILESC=C([C@H]1C=C[C@@H](N)C1)N1CCn2c(cc(C(F)(F)F)cc2=O)C1.CCC
InChIInChI=1S/C16H18F3N3O.C3H8/c1-10(11-2-3-13(20)6-11)21-4-5-22-14(9-21)7-12(8-15(22)23)16(17,18)19;1-3-2/h2-3,7-8,11,13H,1,4-6,9,20H2;3H2,1-2H3/t11-,13+;/m0./s1
InChIKeyGDENDFFFWGHXDQ-STEACBGWSA-N
MW369.43 g/mol
LogP3.52
Rot. Bonds2

About 2-[1-[(1R,4S)-4-aminocyclopent-2-en-1-yl]ethenyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane

2-[1-[(1R,4S)-4-aminocyclopent-2-en-1-yl]ethenyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane (PubChem CID 143085677) has the molecular formula C19H26F3N3O and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[1-[(1R,4S)-4-aminocyclopent-2-en-1-yl]ethenyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane.

Molecular Properties

Compound Name2-[1-[(1R,4S)-4-aminocyclopent-2-en-1-yl]ethenyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane
PubChem CID143085677
Molecular FormulaC19H26F3N3O
Molecular Weight369.43 g/mol
Exact Mass369.20
IUPAC Name2-[1-[(1R,4S)-4-aminocyclopent-2-en-1-yl]ethenyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane
SMILESC=C([C@H]1C=C[C@@H](N)C1)N1CCn2c(cc(C(F)(F)F)cc2=O)C1.CCC
InChIInChI=1S/C16H18F3N3O.C3H8/c1-10(11-2-3-13(20)6-11)21-4-5-22-14(9-21)7-12(8-15(22)23)16(17,18)19;1-3-2/h2-3,7-8,11,13H,1,4-6,9,20H2;3H2,1-2H3/t11-,13+;/m0./s1
InChIKeyGDENDFFFWGHXDQ-STEACBGWSA-N
XLogP3.52
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1R,4S)-4-aminocyclopent-2-en-1-yl]ethenyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane?
The IUPAC name of 2-[1-[(1R,4S)-4-aminocyclopent-2-en-1-yl]ethenyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane (CID 143085677) is 2-[1-[(1R,4S)-4-aminocyclopent-2-en-1-yl]ethenyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane.
What is the SMILES notation for 2-[1-[(1R,4S)-4-aminocyclopent-2-en-1-yl]ethenyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane?
The canonical SMILES for 2-[1-[(1R,4S)-4-aminocyclopent-2-en-1-yl]ethenyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane is C=C([C@H]1C=C[C@@H](N)C1)N1CCn2c(cc(C(F)(F)F)cc2=O)C1.CCC.
What is the InChIKey of 2-[1-[(1R,4S)-4-aminocyclopent-2-en-1-yl]ethenyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane?
The InChIKey is GDENDFFFWGHXDQ-STEACBGWSA-N. The full InChI is InChI=1S/C16H18F3N3O.C3H8/c1-10(11-2-3-13(20)6-11)21-4-5-22-14(9-21)7-12(8-15(22)23)16(17,18)19;1-3-2/h2-3,7-8,11,13H,1,4-6,9,20H2;3H2,1-2H3/t11-,13+;/m0./s1.
What are the key properties of 2-[1-[(1R,4S)-4-aminocyclopent-2-en-1-yl]ethenyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane?
2-[1-[(1R,4S)-4-aminocyclopent-2-en-1-yl]ethenyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane has a molecular weight of 369.43 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1R,4S)-4-aminocyclopent-2-en-1-yl]ethenyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane is sourced from PubChem (CID 143085677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).