ethane;7-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine

C11H18N2O — CID 142348231

IUPACethane;7-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine
SMILESCC.Cc1ccc2c(n1)NCCCO2
InChIInChI=1S/C9H12N2O.C2H6/c1-7-3-4-8-9(11-7)10-5-2-6-12-8;1-2/h3-4H,2,5-6H2,1H3,(H,10,11);1-2H3
InChIKeyYAPZRHHTGJFXHN-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.61
Rot. Bonds

About ethane;7-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine

ethane;7-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine (PubChem CID 142348231) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is ethane;7-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine.

Molecular Properties

Compound Nameethane;7-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine
PubChem CID142348231
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Nameethane;7-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine
SMILESCC.Cc1ccc2c(n1)NCCCO2
InChIInChI=1S/C9H12N2O.C2H6/c1-7-3-4-8-9(11-7)10-5-2-6-12-8;1-2/h3-4H,2,5-6H2,1H3,(H,10,11);1-2H3
InChIKeyYAPZRHHTGJFXHN-UHFFFAOYSA-N
XLogP2.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine?
The IUPAC name of ethane;7-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine (CID 142348231) is ethane;7-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine.
What is the SMILES notation for ethane;7-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine?
The canonical SMILES for ethane;7-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine is CC.Cc1ccc2c(n1)NCCCO2.
What is the InChIKey of ethane;7-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine?
The InChIKey is YAPZRHHTGJFXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C2H6/c1-7-3-4-8-9(11-7)10-5-2-6-12-8;1-2/h3-4H,2,5-6H2,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;7-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine?
ethane;7-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine has a molecular weight of 194.28 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine is sourced from PubChem (CID 142348231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).