3-methyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one

C9H12N2O — CID 14328307

IUPAC3-methyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one
SMILESCc1nc2c([nH]c1=O)CCCC2
InChIInChI=1S/C9H12N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-5H2,1H3,(H,11,12)
InChIKeyBJDTUZNBSNKUPN-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.96
Rot. Bonds

About 3-methyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one

3-methyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one (PubChem CID 14328307) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-methyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-methyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one
PubChem CID14328307
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-methyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one
SMILESCc1nc2c([nH]c1=O)CCCC2
InChIInChI=1S/C9H12N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-5H2,1H3,(H,11,12)
InChIKeyBJDTUZNBSNKUPN-UHFFFAOYSA-N
XLogP0.96
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one?
The IUPAC name of 3-methyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one (CID 14328307) is 3-methyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one.
What is the SMILES notation for 3-methyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one?
The canonical SMILES for 3-methyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one is Cc1nc2c([nH]c1=O)CCCC2.
What is the InChIKey of 3-methyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one?
The InChIKey is BJDTUZNBSNKUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-5H2,1H3,(H,11,12).
What are the key properties of 3-methyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one?
3-methyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one has a molecular weight of 164.21 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one is sourced from PubChem (CID 14328307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).