3,7,7-trimethyl-1,8-dihydroquinoxalin-2-one

C11H14N2O — CID 142851382

IUPAC3,7,7-trimethyl-1,8-dihydroquinoxalin-2-one
SMILESCc1nc2c([nH]c1=O)CC(C)(C)C=C2
InChIInChI=1S/C11H14N2O/c1-7-10(14)13-9-6-11(2,3)5-4-8(9)12-7/h4-5H,6H2,1-3H3,(H,13,14)
InChIKeyDNXZBMQGJOEYNC-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.67
Rot. Bonds

About 3,7,7-trimethyl-1,8-dihydroquinoxalin-2-one

3,7,7-trimethyl-1,8-dihydroquinoxalin-2-one (PubChem CID 142851382) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3,7,7-trimethyl-1,8-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3,7,7-trimethyl-1,8-dihydroquinoxalin-2-one
PubChem CID142851382
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3,7,7-trimethyl-1,8-dihydroquinoxalin-2-one
SMILESCc1nc2c([nH]c1=O)CC(C)(C)C=C2
InChIInChI=1S/C11H14N2O/c1-7-10(14)13-9-6-11(2,3)5-4-8(9)12-7/h4-5H,6H2,1-3H3,(H,13,14)
InChIKeyDNXZBMQGJOEYNC-UHFFFAOYSA-N
XLogP1.67
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7,7-trimethyl-1,8-dihydroquinoxalin-2-one?
The IUPAC name of 3,7,7-trimethyl-1,8-dihydroquinoxalin-2-one (CID 142851382) is 3,7,7-trimethyl-1,8-dihydroquinoxalin-2-one.
What is the SMILES notation for 3,7,7-trimethyl-1,8-dihydroquinoxalin-2-one?
The canonical SMILES for 3,7,7-trimethyl-1,8-dihydroquinoxalin-2-one is Cc1nc2c([nH]c1=O)CC(C)(C)C=C2.
What is the InChIKey of 3,7,7-trimethyl-1,8-dihydroquinoxalin-2-one?
The InChIKey is DNXZBMQGJOEYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7-10(14)13-9-6-11(2,3)5-4-8(9)12-7/h4-5H,6H2,1-3H3,(H,13,14).
What are the key properties of 3,7,7-trimethyl-1,8-dihydroquinoxalin-2-one?
3,7,7-trimethyl-1,8-dihydroquinoxalin-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,7-trimethyl-1,8-dihydroquinoxalin-2-one is sourced from PubChem (CID 142851382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).