8,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]oxazepine;ethane

C11H18N2O — CID 176920150

IUPAC8,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]oxazepine;ethane
SMILESCC.CC1=C(C)c2nccn2CCO1
InChIInChI=1S/C9H12N2O.C2H6/c1-7-8(2)12-6-5-11-4-3-10-9(7)11;1-2/h3-4H,5-6H2,1-2H3;1-2H3
InChIKeyNJEKYLXUARTQKL-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.69
Rot. Bonds

About 8,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]oxazepine;ethane

8,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]oxazepine;ethane (PubChem CID 176920150) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 8,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]oxazepine;ethane.

Molecular Properties

Compound Name8,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]oxazepine;ethane
PubChem CID176920150
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name8,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]oxazepine;ethane
SMILESCC.CC1=C(C)c2nccn2CCO1
InChIInChI=1S/C9H12N2O.C2H6/c1-7-8(2)12-6-5-11-4-3-10-9(7)11;1-2/h3-4H,5-6H2,1-2H3;1-2H3
InChIKeyNJEKYLXUARTQKL-UHFFFAOYSA-N
XLogP2.69
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;8-methyl-5,6-dihydroimidazo[1,2-a]pyridine
CID 156859334
6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;ethane
CID 168912689
1-(5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl)ethanone
CID 58204331
10-[(2-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
CID 141441484
10-[4-(trifluoromethoxy)phenyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
CID 71150357
tetracopper;pentakis(acetonitrile);benzene;octakis(3,6,9,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene);octaperchlorate
CID 139147875
4,8-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;ethane
CID 165400217
9-bromo-8-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine;3-bromo-2-fluoro-6-(3H-pyrrol-2-yl)phenol
CID 159463461
3,6,9,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one
CID 130406686
5,6-dihydroimidazo[1,2-d][1,4]benzothiazepine
CID 138979417
8-oxa-3,6,11-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaene
CID 89036077
4-[4-[2-(4-methylphenyl)imidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 174424268

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]oxazepine;ethane?
The IUPAC name of 8,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]oxazepine;ethane (CID 176920150) is 8,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]oxazepine;ethane.
What is the SMILES notation for 8,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]oxazepine;ethane?
The canonical SMILES for 8,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]oxazepine;ethane is CC.CC1=C(C)c2nccn2CCO1.
What is the InChIKey of 8,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]oxazepine;ethane?
The InChIKey is NJEKYLXUARTQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C2H6/c1-7-8(2)12-6-5-11-4-3-10-9(7)11;1-2/h3-4H,5-6H2,1-2H3;1-2H3.
What are the key properties of 8,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]oxazepine;ethane?
8,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]oxazepine;ethane has a molecular weight of 194.28 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]oxazepine;ethane is sourced from PubChem (CID 176920150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).