1-chloroprop-1-ene;pyrazine

C7H9ClN2 — CID 175598083

IUPAC1-chloroprop-1-ene;pyrazine
SMILESCC=CCl.c1cnccn1
InChIInChI=1S/C4H4N2.C3H5Cl/c1-2-6-4-3-5-1;1-2-3-4/h1-4H;2-3H,1H3
InChIKeyGPMMRMIFSQOBNM-UHFFFAOYSA-N
MW156.62 g/mol
LogP2.24
Rot. Bonds

About 1-chloroprop-1-ene;pyrazine

1-chloroprop-1-ene;pyrazine (PubChem CID 175598083) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 1-chloroprop-1-ene;pyrazine.

Molecular Properties

Compound Name1-chloroprop-1-ene;pyrazine
PubChem CID175598083
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name1-chloroprop-1-ene;pyrazine
SMILESCC=CCl.c1cnccn1
InChIInChI=1S/C4H4N2.C3H5Cl/c1-2-6-4-3-5-1;1-2-3-4/h1-4H;2-3H,1H3
InChIKeyGPMMRMIFSQOBNM-UHFFFAOYSA-N
XLogP2.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloroprop-1-ene;pyrazine?
The IUPAC name of 1-chloroprop-1-ene;pyrazine (CID 175598083) is 1-chloroprop-1-ene;pyrazine.
What is the SMILES notation for 1-chloroprop-1-ene;pyrazine?
The canonical SMILES for 1-chloroprop-1-ene;pyrazine is CC=CCl.c1cnccn1.
What is the InChIKey of 1-chloroprop-1-ene;pyrazine?
The InChIKey is GPMMRMIFSQOBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.C3H5Cl/c1-2-6-4-3-5-1;1-2-3-4/h1-4H;2-3H,1H3.
What are the key properties of 1-chloroprop-1-ene;pyrazine?
1-chloroprop-1-ene;pyrazine has a molecular weight of 156.62 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroprop-1-ene;pyrazine is sourced from PubChem (CID 175598083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).