N-[5-[(Z)-5-hydroxypent-1-enyl]pyrazin-2-yl]acetamide

C11H15N3O2 — CID 46944094

IUPACN-[5-[(Z)-5-hydroxypent-1-enyl]pyrazin-2-yl]acetamide
SMILESCC(=O)Nc1cnc(/C=C\CCCO)cn1
InChIInChI=1S/C11H15N3O2/c1-9(16)14-11-8-12-10(7-13-11)5-3-2-4-6-15/h3,5,7-8,15H,2,4,6H2,1H3,(H,13,14,16)/b5-3-
InChIKeyUOAHIZGGCHNXHI-HYXAFXHYSA-N
MW221.26 g/mol
LogP1.22
Rot. Bonds5

About N-[5-[(Z)-5-hydroxypent-1-enyl]pyrazin-2-yl]acetamide

N-[5-[(Z)-5-hydroxypent-1-enyl]pyrazin-2-yl]acetamide (PubChem CID 46944094) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[5-[(Z)-5-hydroxypent-1-enyl]pyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(Z)-5-hydroxypent-1-enyl]pyrazin-2-yl]acetamide
PubChem CID46944094
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-[5-[(Z)-5-hydroxypent-1-enyl]pyrazin-2-yl]acetamide
SMILESCC(=O)Nc1cnc(/C=C\CCCO)cn1
InChIInChI=1S/C11H15N3O2/c1-9(16)14-11-8-12-10(7-13-11)5-3-2-4-6-15/h3,5,7-8,15H,2,4,6H2,1H3,(H,13,14,16)/b5-3-
InChIKeyUOAHIZGGCHNXHI-HYXAFXHYSA-N
XLogP1.22
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-5-hydroxypent-1-enyl]pyrazin-2-yl]acetamide?
The IUPAC name of N-[5-[(Z)-5-hydroxypent-1-enyl]pyrazin-2-yl]acetamide (CID 46944094) is N-[5-[(Z)-5-hydroxypent-1-enyl]pyrazin-2-yl]acetamide.
What is the SMILES notation for N-[5-[(Z)-5-hydroxypent-1-enyl]pyrazin-2-yl]acetamide?
The canonical SMILES for N-[5-[(Z)-5-hydroxypent-1-enyl]pyrazin-2-yl]acetamide is CC(=O)Nc1cnc(/C=C\CCCO)cn1.
What is the InChIKey of N-[5-[(Z)-5-hydroxypent-1-enyl]pyrazin-2-yl]acetamide?
The InChIKey is UOAHIZGGCHNXHI-HYXAFXHYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-9(16)14-11-8-12-10(7-13-11)5-3-2-4-6-15/h3,5,7-8,15H,2,4,6H2,1H3,(H,13,14,16)/b5-3-.
What are the key properties of N-[5-[(Z)-5-hydroxypent-1-enyl]pyrazin-2-yl]acetamide?
N-[5-[(Z)-5-hydroxypent-1-enyl]pyrazin-2-yl]acetamide has a molecular weight of 221.26 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-5-hydroxypent-1-enyl]pyrazin-2-yl]acetamide is sourced from PubChem (CID 46944094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).