3-(ethenoxymethyl)-6-methyl-4,6-dihydro-2H-cyclohepta[e][1,3]oxazine

C13H17NO2 — CID 143811767

IUPAC3-(ethenoxymethyl)-6-methyl-4,6-dihydro-2H-cyclohepta[e][1,3]oxazine
SMILESC=COCN1COC2=CC=CC(C)C=C2C1
InChIInChI=1S/C13H17NO2/c1-3-15-9-14-8-12-7-11(2)5-4-6-13(12)16-10-14/h3-7,11H,1,8-10H2,2H3
InChIKeyLMIXLBUBYQKIQN-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.41
Rot. Bonds3

About 3-(ethenoxymethyl)-6-methyl-4,6-dihydro-2H-cyclohepta[e][1,3]oxazine

3-(ethenoxymethyl)-6-methyl-4,6-dihydro-2H-cyclohepta[e][1,3]oxazine (PubChem CID 143811767) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(ethenoxymethyl)-6-methyl-4,6-dihydro-2H-cyclohepta[e][1,3]oxazine.

Molecular Properties

Compound Name3-(ethenoxymethyl)-6-methyl-4,6-dihydro-2H-cyclohepta[e][1,3]oxazine
PubChem CID143811767
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(ethenoxymethyl)-6-methyl-4,6-dihydro-2H-cyclohepta[e][1,3]oxazine
SMILESC=COCN1COC2=CC=CC(C)C=C2C1
InChIInChI=1S/C13H17NO2/c1-3-15-9-14-8-12-7-11(2)5-4-6-13(12)16-10-14/h3-7,11H,1,8-10H2,2H3
InChIKeyLMIXLBUBYQKIQN-UHFFFAOYSA-N
XLogP2.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

6-[(1Z)-buta-1,3-dienyl]-3-methyl-5-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
CID 130413521
(6E)-6-ethylidene-5-methylidene-3-propyl-1,3-oxazinane
CID 132091953
3,7,7-Trimethyl-2,4-dihydrocyclohepta[e][1,3]oxazine
CID 138480657
3-methyl-4,8-dihydro-2H-cyclohepta[e][1,3]oxazine-6-thiol
CID 139308944
(5Z,6E)-3-cyclohexa-2,4-dien-1-yl-5-ethylidene-6-prop-2-enylidene-1,3-oxazinane
CID 139311618
(6E)-5-methylidene-3-prop-2-enyl-6-prop-2-enylidene-1,3-oxazinane
CID 143479832
ethane;(5Z,6E)-5-ethylidene-3-methyl-6-prop-2-enylidene-1,3-oxazinane
CID 143508035
(5Z,6E)-5-ethylidene-3-methyl-6-prop-2-enylidene-1,3-oxazinane
CID 143508036
5-ethyl-3-methyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
CID 143940182
ethane;(5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane
CID 145430745
(5Z,6E)-5-ethylidene-3-propan-2-yl-6-prop-2-enylidene-1,3-oxazinane
CID 146475765
3-ethenyl-4,8-dihydro-2H-cyclohepta[e][1,3]oxazine
CID 154977071

Frequently Asked Questions

What is the IUPAC name of 3-(ethenoxymethyl)-6-methyl-4,6-dihydro-2H-cyclohepta[e][1,3]oxazine?
The IUPAC name of 3-(ethenoxymethyl)-6-methyl-4,6-dihydro-2H-cyclohepta[e][1,3]oxazine (CID 143811767) is 3-(ethenoxymethyl)-6-methyl-4,6-dihydro-2H-cyclohepta[e][1,3]oxazine.
What is the SMILES notation for 3-(ethenoxymethyl)-6-methyl-4,6-dihydro-2H-cyclohepta[e][1,3]oxazine?
The canonical SMILES for 3-(ethenoxymethyl)-6-methyl-4,6-dihydro-2H-cyclohepta[e][1,3]oxazine is C=COCN1COC2=CC=CC(C)C=C2C1.
What is the InChIKey of 3-(ethenoxymethyl)-6-methyl-4,6-dihydro-2H-cyclohepta[e][1,3]oxazine?
The InChIKey is LMIXLBUBYQKIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-15-9-14-8-12-7-11(2)5-4-6-13(12)16-10-14/h3-7,11H,1,8-10H2,2H3.
What are the key properties of 3-(ethenoxymethyl)-6-methyl-4,6-dihydro-2H-cyclohepta[e][1,3]oxazine?
3-(ethenoxymethyl)-6-methyl-4,6-dihydro-2H-cyclohepta[e][1,3]oxazine has a molecular weight of 219.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenoxymethyl)-6-methyl-4,6-dihydro-2H-cyclohepta[e][1,3]oxazine is sourced from PubChem (CID 143811767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).