(E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hex-2-en-1-one

C14H19N3O2 — CID 177231617

IUPAC(E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hex-2-en-1-one
SMILESCCC/C=C/C(=O)N1CCn2c(C(C)=O)cnc2C1
InChIInChI=1S/C14H19N3O2/c1-3-4-5-6-14(19)16-7-8-17-12(11(2)18)9-15-13(17)10-16/h5-6,9H,3-4,7-8,10H2,1-2H3/b6-5+
InChIKeyJBRAMHBBUJNELM-AATRIKPKSA-N
MW261.32 g/mol
LogP1.78
Rot. Bonds4

About (E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hex-2-en-1-one

(E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hex-2-en-1-one (PubChem CID 177231617) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hex-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hex-2-en-1-one
PubChem CID177231617
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hex-2-en-1-one
SMILESCCC/C=C/C(=O)N1CCn2c(C(C)=O)cnc2C1
InChIInChI=1S/C14H19N3O2/c1-3-4-5-6-14(19)16-7-8-17-12(11(2)18)9-15-13(17)10-16/h5-6,9H,3-4,7-8,10H2,1-2H3/b6-5+
InChIKeyJBRAMHBBUJNELM-AATRIKPKSA-N
XLogP1.78
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-[ethyl(methyl)amino]but-2-en-1-one
CID 177230371
(E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylnon-2-en-1-one
CID 177231645
(E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-[ethyl(methyl)amino]but-2-en-1-one;1,2-diethylbenzene
CID 177231586
1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)but-2-yn-1-one
CID 177230595
1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)prop-2-en-1-one;1-chloro-2-ethylbenzene
CID 177231124
(E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-[[2-cyclobutylidene-2-[(2-methylpropan-2-yl)oxy]ethyl]-methylamino]but-2-en-1-one
CID 177231954
(E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-[1-(7-aminoheptyl)pyrrolidin-2-yl]prop-2-en-1-one;1-chloro-2-ethylbenzene
CID 177230279
2-[[(E)-4-(3-formyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-oxobut-2-enyl]-methylamino]acetic acid
CID 177230985
tert-butyl N-[(E)-5-[3-[(2-chlorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-oxopent-3-enyl]-N-methylcarbamate
CID 177230341
7-[(E)-4-phenylmethoxybut-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carbaldehyde
CID 177231087
(E)-1-morpholin-4-ylhex-2-en-1-one
CID 135042779
N-(2-chlorophenyl)-7-[(E)-4-(3-propan-2-yloxyazetidin-1-yl)but-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 177231047

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hex-2-en-1-one?
The IUPAC name of (E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hex-2-en-1-one (CID 177231617) is (E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hex-2-en-1-one.
What is the SMILES notation for (E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hex-2-en-1-one?
The canonical SMILES for (E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hex-2-en-1-one is CCC/C=C/C(=O)N1CCn2c(C(C)=O)cnc2C1.
What is the InChIKey of (E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hex-2-en-1-one?
The InChIKey is JBRAMHBBUJNELM-AATRIKPKSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-4-5-6-14(19)16-7-8-17-12(11(2)18)9-15-13(17)10-16/h5-6,9H,3-4,7-8,10H2,1-2H3/b6-5+.
What are the key properties of (E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hex-2-en-1-one?
(E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hex-2-en-1-one has a molecular weight of 261.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hex-2-en-1-one is sourced from PubChem (CID 177231617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).