(6Z)-2-methyl-3,4,5,8-tetrahydro-2H-1,4-oxazocine

C7H13NO — CID 175610954

IUPAC(6Z)-2-methyl-3,4,5,8-tetrahydro-2H-1,4-oxazocine
SMILESCC1CNC/C=C\CO1
InChIInChI=1S/C7H13NO/c1-7-6-8-4-2-3-5-9-7/h2-3,7-8H,4-6H2,1H3/b3-2-
InChIKeyDABSZPQFJRLZPB-IHWYPQMZSA-N
MW127.19 g/mol
LogP0.55
Rot. Bonds

About (6Z)-2-methyl-3,4,5,8-tetrahydro-2H-1,4-oxazocine

(6Z)-2-methyl-3,4,5,8-tetrahydro-2H-1,4-oxazocine (PubChem CID 175610954) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (6Z)-2-methyl-3,4,5,8-tetrahydro-2H-1,4-oxazocine.

Molecular Properties

Compound Name(6Z)-2-methyl-3,4,5,8-tetrahydro-2H-1,4-oxazocine
PubChem CID175610954
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(6Z)-2-methyl-3,4,5,8-tetrahydro-2H-1,4-oxazocine
SMILESCC1CNC/C=C\CO1
InChIInChI=1S/C7H13NO/c1-7-6-8-4-2-3-5-9-7/h2-3,7-8H,4-6H2,1H3/b3-2-
InChIKeyDABSZPQFJRLZPB-IHWYPQMZSA-N
XLogP0.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2,3,4,7-tetrahydro-1H-azepine
CID 70331266
methanol;2-methylmorpholine
CID 144850934
cyclobutane;2-methylmorpholine
CID 67675203
2-methyl-1,4-oxazepane;hydrochloride
CID 66718521
(2R)-2,6,6-trimethyl-1,4-oxazepane
CID 177088964
(3S)-2,3,4,7-tetrahydro-1H-azepin-3-amine
CID 155145440
3,4,5,8-tetrahydro-2H-1,4-oxazocine
CID 68604237
(2S)-2-methylmorpholine;molecular hydrogen;propane
CID 144551111
(7R)-7-methyl-2,6-dioxa-9-azaspiro[3.6]decane
CID 170028194
2,6-dimethylmorpholine;propane
CID 143985013
2-ethyl-4,7-dihydro-1,3-dioxepine
CID 11029866
2-tert-butyl-4,7-dihydro-1,3-dioxepine
CID 11062630

Frequently Asked Questions

What is the IUPAC name of (6Z)-2-methyl-3,4,5,8-tetrahydro-2H-1,4-oxazocine?
The IUPAC name of (6Z)-2-methyl-3,4,5,8-tetrahydro-2H-1,4-oxazocine (CID 175610954) is (6Z)-2-methyl-3,4,5,8-tetrahydro-2H-1,4-oxazocine.
What is the SMILES notation for (6Z)-2-methyl-3,4,5,8-tetrahydro-2H-1,4-oxazocine?
The canonical SMILES for (6Z)-2-methyl-3,4,5,8-tetrahydro-2H-1,4-oxazocine is CC1CNC/C=C\CO1.
What is the InChIKey of (6Z)-2-methyl-3,4,5,8-tetrahydro-2H-1,4-oxazocine?
The InChIKey is DABSZPQFJRLZPB-IHWYPQMZSA-N. The full InChI is InChI=1S/C7H13NO/c1-7-6-8-4-2-3-5-9-7/h2-3,7-8H,4-6H2,1H3/b3-2-.
What are the key properties of (6Z)-2-methyl-3,4,5,8-tetrahydro-2H-1,4-oxazocine?
(6Z)-2-methyl-3,4,5,8-tetrahydro-2H-1,4-oxazocine has a molecular weight of 127.19 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2-methyl-3,4,5,8-tetrahydro-2H-1,4-oxazocine is sourced from PubChem (CID 175610954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).