1-(8-but-3-enylimidazo[1,2-a]pyrazin-2-yl)prop-2-en-1-one

C13H13N3O — CID 91534977

IUPAC1-(8-but-3-enylimidazo[1,2-a]pyrazin-2-yl)prop-2-en-1-one
SMILESC=CCCc1nccn2cc(C(=O)C=C)nc12
InChIInChI=1S/C13H13N3O/c1-3-5-6-10-13-15-11(12(17)4-2)9-16(13)8-7-14-10/h3-4,7-9H,1-2,5-6H2
InChIKeyUZMYDRCUFZSWJJ-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.22
Rot. Bonds5

About 1-(8-but-3-enylimidazo[1,2-a]pyrazin-2-yl)prop-2-en-1-one

1-(8-but-3-enylimidazo[1,2-a]pyrazin-2-yl)prop-2-en-1-one (PubChem CID 91534977) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-(8-but-3-enylimidazo[1,2-a]pyrazin-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(8-but-3-enylimidazo[1,2-a]pyrazin-2-yl)prop-2-en-1-one
PubChem CID91534977
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name1-(8-but-3-enylimidazo[1,2-a]pyrazin-2-yl)prop-2-en-1-one
SMILESC=CCCc1nccn2cc(C(=O)C=C)nc12
InChIInChI=1S/C13H13N3O/c1-3-5-6-10-13-15-11(12(17)4-2)9-16(13)8-7-14-10/h3-4,7-9H,1-2,5-6H2
InChIKeyUZMYDRCUFZSWJJ-UHFFFAOYSA-N
XLogP2.22
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Chloroimidazo[1,2-a]pyrazin-3-yl)ethanone
CID 44307380
Imidazo(1,2-a)pyrazine-3-carbaldehyde
CID 13634591
5H,6H,7H,8H-imidazo(1,5-a)pyridin-8-one
CID 16752069
Imidazo[1,2-a]pyrazine-2-carbaldehyde
CID 49757969
1-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-yl}ethan-1-one
CID 45086310
(E)-3-(dimethylamino)-1-(2,3-dimethylimidazol-4-yl)prop-2-en-1-one
CID 22273537
1-[2-(Trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]ethanone
CID 118441486
1-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]ethanone
CID 172377798
2,2,2-Trifluoro-1-(imidazo[1,2-a]pyrazin-3-yl)ethan-1-one
CID 71692755
3-Amino-1-{imidazo[1,2-a]pyrimidin-3-yl}propan-1-one
CID 71733476
2,2,2-trifluoro-1-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-yl}ethan-1-one
CID 165633070
2,2-Difluoro-1-{imidazo[1,2-a]pyrazin-3-yl}ethan-1-one
CID 165751841

Frequently Asked Questions

What is the IUPAC name of 1-(8-but-3-enylimidazo[1,2-a]pyrazin-2-yl)prop-2-en-1-one?
The IUPAC name of 1-(8-but-3-enylimidazo[1,2-a]pyrazin-2-yl)prop-2-en-1-one (CID 91534977) is 1-(8-but-3-enylimidazo[1,2-a]pyrazin-2-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(8-but-3-enylimidazo[1,2-a]pyrazin-2-yl)prop-2-en-1-one?
The canonical SMILES for 1-(8-but-3-enylimidazo[1,2-a]pyrazin-2-yl)prop-2-en-1-one is C=CCCc1nccn2cc(C(=O)C=C)nc12.
What is the InChIKey of 1-(8-but-3-enylimidazo[1,2-a]pyrazin-2-yl)prop-2-en-1-one?
The InChIKey is UZMYDRCUFZSWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-3-5-6-10-13-15-11(12(17)4-2)9-16(13)8-7-14-10/h3-4,7-9H,1-2,5-6H2.
What are the key properties of 1-(8-but-3-enylimidazo[1,2-a]pyrazin-2-yl)prop-2-en-1-one?
1-(8-but-3-enylimidazo[1,2-a]pyrazin-2-yl)prop-2-en-1-one has a molecular weight of 227.27 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-but-3-enylimidazo[1,2-a]pyrazin-2-yl)prop-2-en-1-one is sourced from PubChem (CID 91534977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).