(E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylnon-2-en-1-one

C18H27N3O2 — CID 177231645

IUPAC(E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylnon-2-en-1-one
SMILESCCCCCC(C)/C=C/C(=O)N1CCn2c(C(C)=O)cnc2C1
InChIInChI=1S/C18H27N3O2/c1-4-5-6-7-14(2)8-9-18(23)20-10-11-21-16(15(3)22)12-19-17(21)13-20/h8-9,12,14H,4-7,10-11,13H2,1-3H3/b9-8+
InChIKeyDAIBTCQVVMDEQA-CMDGGOBGSA-N
MW317.43 g/mol
LogP3.20
Rot. Bonds7

About (E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylnon-2-en-1-one

(E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylnon-2-en-1-one (PubChem CID 177231645) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylnon-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylnon-2-en-1-one
PubChem CID177231645
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylnon-2-en-1-one
SMILESCCCCCC(C)/C=C/C(=O)N1CCn2c(C(C)=O)cnc2C1
InChIInChI=1S/C18H27N3O2/c1-4-5-6-7-14(2)8-9-18(23)20-10-11-21-16(15(3)22)12-19-17(21)13-20/h8-9,12,14H,4-7,10-11,13H2,1-3H3/b9-8+
InChIKeyDAIBTCQVVMDEQA-CMDGGOBGSA-N
XLogP3.20
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylnon-2-en-1-one?
The IUPAC name of (E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylnon-2-en-1-one (CID 177231645) is (E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylnon-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)-4-methylnon-2-en-1-one?
The canonical SMILES for (E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylnon-2-en-1-one is CCCCCC(C)/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)-4-methylnon-2-en-1-one?
The InChIKey is DAIBTCQVVMDEQA-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-5-6-7-14(2)8-9-18(23)20-10-11-21-16(15(3)22)12-19-17(21)13-20/h8-9,12,14H,4-7,10-11,13H2,1-3H3/b9-8+.
What are the key properties of (E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylnon-2-en-1-one?
(E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylnon-2-en-1-one has a molecular weight of 317.43 g/mol, XLogP of 3.20, 7 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)-4-methylnon-2-en-1-one is sourced from PubChem (CID 177231645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).