(5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine

C9H10N2O — CID 164576108

IUPAC(5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine
SMILESC1=N\CNCOc2ccccc2/1
InChIInChI=1S/C9H10N2O/c1-2-4-9-8(3-1)5-10-6-11-7-12-9/h1-5,11H,6-7H2/b10-5-
InChIKeyKTIYUFCZXAXTJY-YHYXMXQVSA-N
MW162.19 g/mol
LogP1.00
Rot. Bonds

About (5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine

(5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine (PubChem CID 164576108) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is (5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine.

Molecular Properties

Compound Name(5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine
PubChem CID164576108
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name(5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine
SMILESC1=N\CNCOc2ccccc2/1
InChIInChI=1S/C9H10N2O/c1-2-4-9-8(3-1)5-10-6-11-7-12-9/h1-5,11H,6-7H2/b10-5-
InChIKeyKTIYUFCZXAXTJY-YHYXMXQVSA-N
XLogP1.00
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5,8-trioxa-16,20-diazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,15,20,22,24-octaene
CID 100936483
3,4-dihydro-2H-1,3-benzoxazine;hydrochloride
CID 137347673
CID 174785352
CID 174785352
1,2,3-benzoxathiazine
CID 22055088
3-methyl-2,3-dihydro-1,4-benzoxazepine;hydrochloride
CID 175678930
2,13,15,26,27-pentaoxa-10,23-diaza-1,14-diboratetracyclo[12.12.1.03,8.016,21]heptacosa-3,5,7,9,16,18,20,22-octaene
CID 12055267
3,18,23,38-tetraoxa-11,30,44-triazahexacyclo[38.3.1.04,9.012,17.024,29.032,37]tetratetraconta-1(44),4,6,8,10,12,14,16,24,26,28,30,32,34,36,40,42-heptadecaene
CID 101141838
2H-chromene;methane;molybdenum;vanadium
CID 173308227
3-[4-(2H-chromen-3-yl)phenyl]-2H-chromene
CID 101244851
(23E)-10,13,16-trioxa-2,24,29-triazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),2,4,6,8,17,19,21,23,25,27-undecaene
CID 177470692
2H-chromene;manganese;methane;molybdenum
CID 175353491
CID 173043361
CID 173043361

Frequently Asked Questions

What is the IUPAC name of (5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine?
The IUPAC name of (5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine (CID 164576108) is (5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine.
What is the SMILES notation for (5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine?
The canonical SMILES for (5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine is C1=N\CNCOc2ccccc2/1.
What is the InChIKey of (5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine?
The InChIKey is KTIYUFCZXAXTJY-YHYXMXQVSA-N. The full InChI is InChI=1S/C9H10N2O/c1-2-4-9-8(3-1)5-10-6-11-7-12-9/h1-5,11H,6-7H2/b10-5-.
What are the key properties of (5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine?
(5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine has a molecular weight of 162.19 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3,4-dihydro-2H-1,3,5-benzoxadiazocine is sourced from PubChem (CID 164576108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).