4,7,7-trimethyl-2,3-dihydrocyclohepta[b][1,4]oxazine

C12H17NO — CID 142096969

IUPAC4,7,7-trimethyl-2,3-dihydrocyclohepta[b][1,4]oxazine
SMILESCN1CCOC2=C1C=CC(C)(C)C=C2
InChIInChI=1S/C12H17NO/c1-12(2)6-4-10-11(5-7-12)14-9-8-13(10)3/h4-7H,8-9H2,1-3H3
InChIKeyXASXITOVAFJYGW-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.31
Rot. Bonds

About 4,7,7-trimethyl-2,3-dihydrocyclohepta[b][1,4]oxazine

4,7,7-trimethyl-2,3-dihydrocyclohepta[b][1,4]oxazine (PubChem CID 142096969) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4,7,7-trimethyl-2,3-dihydrocyclohepta[b][1,4]oxazine.

Molecular Properties

Compound Name4,7,7-trimethyl-2,3-dihydrocyclohepta[b][1,4]oxazine
PubChem CID142096969
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4,7,7-trimethyl-2,3-dihydrocyclohepta[b][1,4]oxazine
SMILESCN1CCOC2=C1C=CC(C)(C)C=C2
InChIInChI=1S/C12H17NO/c1-12(2)6-4-10-11(5-7-12)14-9-8-13(10)3/h4-7H,8-9H2,1-3H3
InChIKeyXASXITOVAFJYGW-UHFFFAOYSA-N
XLogP2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclohexa-1,5-dien-1-yloxyethyl)-N-propan-2-ylpropan-2-amine
CID 17898820
5,5,7,8-Tetramethyl-2-oxa-5-azoniabicyclo[4.2.0]octa-1(6),7-diene
CID 59379130
4-(2,2-Dimethylpropyl)-2,3-dihydrocyclohepta[b][1,4]oxazine
CID 91459018
(2E,3E)-4-methyl-3-(2-methylpropylidene)-2-prop-2-enylidenemorpholine
CID 138531975
5,10,10-Trimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
CID 141922016
Ethane;2,3,4,7-tetrahydrocyclohepta[b][1,4]oxazine
CID 142222903
ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine
CID 142241416
4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane
CID 142474861
4-(5-Methoxycyclohepta-1,4,6-trien-1-yl)morpholine
CID 142919990
N-[(Z)-but-2-enyl]-5-[2-(dimethylamino)ethoxy]-N-methylcyclohepta-1,4,6-trien-1-amine;ethane
CID 143099774
5,6-Bis(ethenyl)-4-methyl-2,3-dihydro-1,4-oxazine;ethane
CID 143157636
Ethane;molecular hydrogen;2,3,4,7-tetrahydrocyclohepta[b][1,4]oxazine
CID 143157806

Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-2,3-dihydrocyclohepta[b][1,4]oxazine?
The IUPAC name of 4,7,7-trimethyl-2,3-dihydrocyclohepta[b][1,4]oxazine (CID 142096969) is 4,7,7-trimethyl-2,3-dihydrocyclohepta[b][1,4]oxazine.
What is the SMILES notation for 4,7,7-trimethyl-2,3-dihydrocyclohepta[b][1,4]oxazine?
The canonical SMILES for 4,7,7-trimethyl-2,3-dihydrocyclohepta[b][1,4]oxazine is CN1CCOC2=C1C=CC(C)(C)C=C2.
What is the InChIKey of 4,7,7-trimethyl-2,3-dihydrocyclohepta[b][1,4]oxazine?
The InChIKey is XASXITOVAFJYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(2)6-4-10-11(5-7-12)14-9-8-13(10)3/h4-7H,8-9H2,1-3H3.
What are the key properties of 4,7,7-trimethyl-2,3-dihydrocyclohepta[b][1,4]oxazine?
4,7,7-trimethyl-2,3-dihydrocyclohepta[b][1,4]oxazine has a molecular weight of 191.27 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-2,3-dihydrocyclohepta[b][1,4]oxazine is sourced from PubChem (CID 142096969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).