3-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]-7H-cyclohepta[b][1,4]oxazine

C15H17NO — CID 145345693

IUPAC3-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]-7H-cyclohepta[b][1,4]oxazine
SMILESC=CC1=C(/C=C\C)OC2=C(C=CCC=C2)N1C
InChIInChI=1S/C15H17NO/c1-4-9-14-12(5-2)16(3)13-10-7-6-8-11-15(13)17-14/h4-5,7-11H,2,6H2,1,3H3/b9-4-
InChIKeyWYHYHTHSWXJMAZ-WTKPLQERSA-N
MW227.31 g/mol
LogP3.65
Rot. Bonds2

About 3-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]-7H-cyclohepta[b][1,4]oxazine

3-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]-7H-cyclohepta[b][1,4]oxazine (PubChem CID 145345693) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]-7H-cyclohepta[b][1,4]oxazine.

Molecular Properties

Compound Name3-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]-7H-cyclohepta[b][1,4]oxazine
PubChem CID145345693
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]-7H-cyclohepta[b][1,4]oxazine
SMILESC=CC1=C(/C=C\C)OC2=C(C=CCC=C2)N1C
InChIInChI=1S/C15H17NO/c1-4-9-14-12(5-2)16(3)13-10-7-6-8-11-15(13)17-14/h4-5,7-11H,2,6H2,1,3H3/b9-4-
InChIKeyWYHYHTHSWXJMAZ-WTKPLQERSA-N
XLogP3.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-bis(ethenyl)-5-methyl-2-thia-5-azabicyclo[5.5.0]dodeca-1(7),3,8,11-tetraene
CID 142986165
4-(4-bromophenyl)-3-ethenyl-2-[(Z)-prop-1-enyl]-1,4-benzoxazine
CID 139317797
3-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene
CID 156829668
5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine
CID 163864435
2-ethenyl-1,4-diphenyl-3-[(Z)-prop-1-enyl]quinoxaline
CID 142288460
(4Z)-4-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-3-azabicyclo[6.4.0]dodeca-1(12),4,8,10-tetraen-6-yne
CID 170725191
2,2-dimethyl-6H-cyclohepta[d][1,3]dioxole
CID 142414090
5,6-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxine
CID 146396950
(2E)-2-[(Z)-but-2-enylidene]-6-ethenyl-1-methyl-3-methylidene-7-[(Z)-prop-1-enyl]azepine
CID 143892145
ethane;6-ethenyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1,4-oxazepine
CID 145208551
ethane;3-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole
CID 143141932
cyclopenta-1,3-diene;prop-1-ene
CID 21266721

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]-7H-cyclohepta[b][1,4]oxazine?
The IUPAC name of 3-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]-7H-cyclohepta[b][1,4]oxazine (CID 145345693) is 3-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]-7H-cyclohepta[b][1,4]oxazine.
What is the SMILES notation for 3-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]-7H-cyclohepta[b][1,4]oxazine?
The canonical SMILES for 3-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]-7H-cyclohepta[b][1,4]oxazine is C=CC1=C(/C=C\C)OC2=C(C=CCC=C2)N1C.
What is the InChIKey of 3-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]-7H-cyclohepta[b][1,4]oxazine?
The InChIKey is WYHYHTHSWXJMAZ-WTKPLQERSA-N. The full InChI is InChI=1S/C15H17NO/c1-4-9-14-12(5-2)16(3)13-10-7-6-8-11-15(13)17-14/h4-5,7-11H,2,6H2,1,3H3/b9-4-.
What are the key properties of 3-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]-7H-cyclohepta[b][1,4]oxazine?
3-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]-7H-cyclohepta[b][1,4]oxazine has a molecular weight of 227.31 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]-7H-cyclohepta[b][1,4]oxazine is sourced from PubChem (CID 145345693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).