N-[2-(cyclohexen-1-yl)ethyl]pyrazine-2-carboxamide

C13H17N3O — CID 868678

IUPACN-[2-(cyclohexen-1-yl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cnccn1
InChIInChI=1S/C13H17N3O/c17-13(12-10-14-8-9-15-12)16-7-6-11-4-2-1-3-5-11/h4,8-10H,1-3,5-7H2,(H,16,17)
InChIKeyRJORQRIFWRVOAW-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.10
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]pyrazine-2-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 868678) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]pyrazine-2-carboxamide
PubChem CID868678
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cnccn1
InChIInChI=1S/C13H17N3O/c17-13(12-10-14-8-9-15-12)16-7-6-11-4-2-1-3-5-11/h4,8-10H,1-3,5-7H2,(H,16,17)
InChIKeyRJORQRIFWRVOAW-UHFFFAOYSA-N
XLogP2.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]pyrazine-2-carboxamide (CID 868678) is N-[2-(cyclohexen-1-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]pyrazine-2-carboxamide is O=C(NCCC1=CCCCC1)c1cnccn1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is RJORQRIFWRVOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-13(12-10-14-8-9-15-12)16-7-6-11-4-2-1-3-5-11/h4,8-10H,1-3,5-7H2,(H,16,17).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]pyrazine-2-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 868678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).