4-[(E)-3-chloroprop-2-enyl]-3-methyl-2,3-dihydro-1H-quinoxaline

C12H15ClN2 — CID 115318552

IUPAC4-[(E)-3-chloroprop-2-enyl]-3-methyl-2,3-dihydro-1H-quinoxaline
SMILESCC1CNc2ccccc2N1C/C=C/Cl
InChIInChI=1S/C12H15ClN2/c1-10-9-14-11-5-2-3-6-12(11)15(10)8-4-7-13/h2-7,10,14H,8-9H2,1H3/b7-4+
InChIKeyCSDCTGSJLSTEFR-QPJJXVBHSA-N
MW222.72 g/mol
LogP3.06
Rot. Bonds2

About 4-[(E)-3-chloroprop-2-enyl]-3-methyl-2,3-dihydro-1H-quinoxaline

4-[(E)-3-chloroprop-2-enyl]-3-methyl-2,3-dihydro-1H-quinoxaline (PubChem CID 115318552) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 4-[(E)-3-chloroprop-2-enyl]-3-methyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-[(E)-3-chloroprop-2-enyl]-3-methyl-2,3-dihydro-1H-quinoxaline
PubChem CID115318552
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name4-[(E)-3-chloroprop-2-enyl]-3-methyl-2,3-dihydro-1H-quinoxaline
SMILESCC1CNc2ccccc2N1C/C=C/Cl
InChIInChI=1S/C12H15ClN2/c1-10-9-14-11-5-2-3-6-12(11)15(10)8-4-7-13/h2-7,10,14H,8-9H2,1H3/b7-4+
InChIKeyCSDCTGSJLSTEFR-QPJJXVBHSA-N
XLogP3.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-chloroprop-2-enyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-[(E)-3-chloroprop-2-enyl]-3-methyl-2,3-dihydro-1H-quinoxaline (CID 115318552) is 4-[(E)-3-chloroprop-2-enyl]-3-methyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-[(E)-3-chloroprop-2-enyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-[(E)-3-chloroprop-2-enyl]-3-methyl-2,3-dihydro-1H-quinoxaline is CC1CNc2ccccc2N1C/C=C/Cl.
What is the InChIKey of 4-[(E)-3-chloroprop-2-enyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is CSDCTGSJLSTEFR-QPJJXVBHSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-10-9-14-11-5-2-3-6-12(11)15(10)8-4-7-13/h2-7,10,14H,8-9H2,1H3/b7-4+.
What are the key properties of 4-[(E)-3-chloroprop-2-enyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
4-[(E)-3-chloroprop-2-enyl]-3-methyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 222.72 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-chloroprop-2-enyl]-3-methyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 115318552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).