ethane;3-methyl-6,7-dihydro-4H-1,3-benzoxazin-2-one

C11H17NO2 — CID 144545939

IUPACethane;3-methyl-6,7-dihydro-4H-1,3-benzoxazin-2-one
SMILESCC.CN1CC2=CCCC=C2OC1=O
InChIInChI=1S/C9H11NO2.C2H6/c1-10-6-7-4-2-3-5-8(7)12-9(10)11;1-2/h4-5H,2-3,6H2,1H3;1-2H3
InChIKeyCZOBSQNIIDQPEG-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.70
Rot. Bonds

About ethane;3-methyl-6,7-dihydro-4H-1,3-benzoxazin-2-one

ethane;3-methyl-6,7-dihydro-4H-1,3-benzoxazin-2-one (PubChem CID 144545939) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethane;3-methyl-6,7-dihydro-4H-1,3-benzoxazin-2-one.

Molecular Properties

Compound Nameethane;3-methyl-6,7-dihydro-4H-1,3-benzoxazin-2-one
PubChem CID144545939
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameethane;3-methyl-6,7-dihydro-4H-1,3-benzoxazin-2-one
SMILESCC.CN1CC2=CCCC=C2OC1=O
InChIInChI=1S/C9H11NO2.C2H6/c1-10-6-7-4-2-3-5-8(7)12-9(10)11;1-2/h4-5H,2-3,6H2,1H3;1-2H3
InChIKeyCZOBSQNIIDQPEG-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-6,7-dihydro-4H-1,3-benzoxazin-2-one?
The IUPAC name of ethane;3-methyl-6,7-dihydro-4H-1,3-benzoxazin-2-one (CID 144545939) is ethane;3-methyl-6,7-dihydro-4H-1,3-benzoxazin-2-one.
What is the SMILES notation for ethane;3-methyl-6,7-dihydro-4H-1,3-benzoxazin-2-one?
The canonical SMILES for ethane;3-methyl-6,7-dihydro-4H-1,3-benzoxazin-2-one is CC.CN1CC2=CCCC=C2OC1=O.
What is the InChIKey of ethane;3-methyl-6,7-dihydro-4H-1,3-benzoxazin-2-one?
The InChIKey is CZOBSQNIIDQPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C2H6/c1-10-6-7-4-2-3-5-8(7)12-9(10)11;1-2/h4-5H,2-3,6H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-6,7-dihydro-4H-1,3-benzoxazin-2-one?
ethane;3-methyl-6,7-dihydro-4H-1,3-benzoxazin-2-one has a molecular weight of 195.26 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-6,7-dihydro-4H-1,3-benzoxazin-2-one is sourced from PubChem (CID 144545939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).