5-butan-2-yl-6-[(Z)-but-1-enyl]-2,3-dihydropyrazine

C12H20N2 — CID 123904438

IUPAC5-butan-2-yl-6-[(Z)-but-1-enyl]-2,3-dihydropyrazine
SMILESCC/C=C\C1=NCCN=C1C(C)CC
InChIInChI=1S/C12H20N2/c1-4-6-7-11-12(10(3)5-2)14-9-8-13-11/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-
InChIKeyBHYIWMNBIKEDFD-SREVYHEPSA-N
MW192.31 g/mol
LogP2.89
Rot. Bonds4

About 5-butan-2-yl-6-[(Z)-but-1-enyl]-2,3-dihydropyrazine

5-butan-2-yl-6-[(Z)-but-1-enyl]-2,3-dihydropyrazine (PubChem CID 123904438) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 5-butan-2-yl-6-[(Z)-but-1-enyl]-2,3-dihydropyrazine.

Molecular Properties

Compound Name5-butan-2-yl-6-[(Z)-but-1-enyl]-2,3-dihydropyrazine
PubChem CID123904438
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name5-butan-2-yl-6-[(Z)-but-1-enyl]-2,3-dihydropyrazine
SMILESCC/C=C\C1=NCCN=C1C(C)CC
InChIInChI=1S/C12H20N2/c1-4-6-7-11-12(10(3)5-2)14-9-8-13-11/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-
InChIKeyBHYIWMNBIKEDFD-SREVYHEPSA-N
XLogP2.89
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-N,4-dimethylcyclohex-2-en-1-imine
CID 123297893
3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
6-[(2S)-butan-2-yl]-3-fluoro-2,3-dihydropyridine
CID 144060408
6-Cyclopentyl-2,3-dihydropyridine
CID 54515633
3-(5-Ethyliminocyclohex-3-en-1-yl)prop-2-enenitrile
CID 57045035
N,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 58916542
(2S)-2-methyl-6-(2-methylpropyl)-2,3-dihydropyridine
CID 67991639
N-ethenyl-6-methylcyclohex-2-en-1-imine
CID 68332943
2,4a,5,6-Tetrahydroquinoline
CID 70148575
6-Propan-2-yl-2,3-dihydropyridine
CID 70224591
(5E,9E)-2-pent-3-en-2-yl-1-azacyclododeca-1,5,9-triene
CID 70585414
2-Pent-3-en-2-yl-1-azacyclododeca-1,5,9-triene
CID 70585416

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-6-[(Z)-but-1-enyl]-2,3-dihydropyrazine?
The IUPAC name of 5-butan-2-yl-6-[(Z)-but-1-enyl]-2,3-dihydropyrazine (CID 123904438) is 5-butan-2-yl-6-[(Z)-but-1-enyl]-2,3-dihydropyrazine.
What is the SMILES notation for 5-butan-2-yl-6-[(Z)-but-1-enyl]-2,3-dihydropyrazine?
The canonical SMILES for 5-butan-2-yl-6-[(Z)-but-1-enyl]-2,3-dihydropyrazine is CC/C=C\C1=NCCN=C1C(C)CC.
What is the InChIKey of 5-butan-2-yl-6-[(Z)-but-1-enyl]-2,3-dihydropyrazine?
The InChIKey is BHYIWMNBIKEDFD-SREVYHEPSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-6-7-11-12(10(3)5-2)14-9-8-13-11/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-.
What are the key properties of 5-butan-2-yl-6-[(Z)-but-1-enyl]-2,3-dihydropyrazine?
5-butan-2-yl-6-[(Z)-but-1-enyl]-2,3-dihydropyrazine has a molecular weight of 192.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-6-[(Z)-but-1-enyl]-2,3-dihydropyrazine is sourced from PubChem (CID 123904438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).