3-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-ylidene)-1,1,1-trifluoropropan-2-one

C10H9F3N2O — CID 4116465

IUPAC3-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-ylidene)-1,1,1-trifluoropropan-2-one
SMILESO=C(C=C1NCCn2cccc21)C(F)(F)F
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)9(16)6-7-8-2-1-4-15(8)5-3-14-7/h1-2,4,6,14H,3,5H2
InChIKeyWVDWRPOQBKIYEZ-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.56
Rot. Bonds1

About 3-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-ylidene)-1,1,1-trifluoropropan-2-one

3-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-ylidene)-1,1,1-trifluoropropan-2-one (PubChem CID 4116465) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-ylidene)-1,1,1-trifluoropropan-2-one.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-ylidene)-1,1,1-trifluoropropan-2-one
PubChem CID4116465
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name3-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-ylidene)-1,1,1-trifluoropropan-2-one
SMILESO=C(C=C1NCCn2cccc21)C(F)(F)F
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)9(16)6-7-8-2-1-4-15(8)5-3-14-7/h1-2,4,6,14H,3,5H2
InChIKeyWVDWRPOQBKIYEZ-UHFFFAOYSA-N
XLogP1.56
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.56
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

Caerulomycin H
CID 53484026
1-Ethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 3159598
1,2,3,4-Tetrahydropyrrolo(1,2-a)pyrazine
CID 1549128
1-methyl-1H,2H,3H,4H-pyrrolo(1,2-a)pyrazine
CID 3310247
(E)-1,1,1-trifluoro-4-(pyridin-2-ylmethylamino)pent-3-en-2-one
CID 6219494
(E)-1,1,1-trifluoro-4-(1-methylpyrrol-2-yl)but-3-en-2-one
CID 10976557
2-(hydroxyiminomethyl)-6-pyridin-2-yl-1H-pyridin-4-one
CID 162921881
1-Methyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine
CID 21846784
(4S)-4-methyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine
CID 137965607
(4R)-4-methyl-1H,2H,3H,4H-pyrrolo(1,2-a)pyrazine
CID 137965773
1-Methylene-2-trifluoroacetyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 12101712
1-Isopropyl-2-methyl-1-methylamino-1,2-dihydrotrifluoroacetylpyrrolo[1,2-a]pyrazine
CID 129791356

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-ylidene)-1,1,1-trifluoropropan-2-one?
The IUPAC name of 3-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-ylidene)-1,1,1-trifluoropropan-2-one (CID 4116465) is 3-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-ylidene)-1,1,1-trifluoropropan-2-one.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-ylidene)-1,1,1-trifluoropropan-2-one?
The canonical SMILES for 3-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-ylidene)-1,1,1-trifluoropropan-2-one is O=C(C=C1NCCn2cccc21)C(F)(F)F.
What is the InChIKey of 3-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-ylidene)-1,1,1-trifluoropropan-2-one?
The InChIKey is WVDWRPOQBKIYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c11-10(12,13)9(16)6-7-8-2-1-4-15(8)5-3-14-7/h1-2,4,6,14H,3,5H2.
What are the key properties of 3-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-ylidene)-1,1,1-trifluoropropan-2-one?
3-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-ylidene)-1,1,1-trifluoropropan-2-one has a molecular weight of 230.19 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-ylidene)-1,1,1-trifluoropropan-2-one is sourced from PubChem (CID 4116465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).