(5Z)-3,6-dimethyl-2,4-dihydro-1,3-benzoxazocine

C12H15NO — CID 100979156

IUPAC(5Z)-3,6-dimethyl-2,4-dihydro-1,3-benzoxazocine
SMILESC/C1=C/CN(C)COc2ccccc21
InChIInChI=1S/C12H15NO/c1-10-7-8-13(2)9-14-12-6-4-3-5-11(10)12/h3-7H,8-9H2,1-2H3/b10-7-
InChIKeyNQVKXNMLJFSVGX-YFHOEESVSA-N
MW189.26 g/mol
LogP2.37
Rot. Bonds

About (5Z)-3,6-dimethyl-2,4-dihydro-1,3-benzoxazocine

(5Z)-3,6-dimethyl-2,4-dihydro-1,3-benzoxazocine (PubChem CID 100979156) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (5Z)-3,6-dimethyl-2,4-dihydro-1,3-benzoxazocine.

Molecular Properties

Compound Name(5Z)-3,6-dimethyl-2,4-dihydro-1,3-benzoxazocine
PubChem CID100979156
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(5Z)-3,6-dimethyl-2,4-dihydro-1,3-benzoxazocine
SMILESC/C1=C/CN(C)COc2ccccc21
InChIInChI=1S/C12H15NO/c1-10-7-8-13(2)9-14-12-6-4-3-5-11(10)12/h3-7H,8-9H2,1-2H3/b10-7-
InChIKeyNQVKXNMLJFSVGX-YFHOEESVSA-N
XLogP2.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

sodium;hydride;4-methyl-2H-chromene
CID 173094334
4-methyl-2H-1,3-benzoxazine
CID 129065848
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CID 174046531
3-(3-bromopropyl)-2H-1,3-benzoxazin-4-one
CID 89084874
7-methyl-6H-benzo[c]chromene
CID 138981577
1-benzofuran-3-one;ethane
CID 90876800
4-methyl-1-octyl-2H-quinoline;hydrobromide
CID 174189312
2-ethyl-5H-pyrazolo[1,5-c][1,3]benzoxazine
CID 67987826
2-tert-butyl-5H-pyrazolo[1,5-c][1,3]benzoxazine;ethane
CID 160645159
4-methylidene-1,3-benzoxathiine
CID 122417043
6H-benzo[c]chromene;hydrobromide
CID 70547533
ethane;3-methyl-1H-indene
CID 90920725

Frequently Asked Questions

What is the IUPAC name of (5Z)-3,6-dimethyl-2,4-dihydro-1,3-benzoxazocine?
The IUPAC name of (5Z)-3,6-dimethyl-2,4-dihydro-1,3-benzoxazocine (CID 100979156) is (5Z)-3,6-dimethyl-2,4-dihydro-1,3-benzoxazocine.
What is the SMILES notation for (5Z)-3,6-dimethyl-2,4-dihydro-1,3-benzoxazocine?
The canonical SMILES for (5Z)-3,6-dimethyl-2,4-dihydro-1,3-benzoxazocine is C/C1=C/CN(C)COc2ccccc21.
What is the InChIKey of (5Z)-3,6-dimethyl-2,4-dihydro-1,3-benzoxazocine?
The InChIKey is NQVKXNMLJFSVGX-YFHOEESVSA-N. The full InChI is InChI=1S/C12H15NO/c1-10-7-8-13(2)9-14-12-6-4-3-5-11(10)12/h3-7H,8-9H2,1-2H3/b10-7-.
What are the key properties of (5Z)-3,6-dimethyl-2,4-dihydro-1,3-benzoxazocine?
(5Z)-3,6-dimethyl-2,4-dihydro-1,3-benzoxazocine has a molecular weight of 189.26 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3,6-dimethyl-2,4-dihydro-1,3-benzoxazocine is sourced from PubChem (CID 100979156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).