3,7-dimethyl-4,7-dihydrocyclohepta[e][1,3]oxazin-2-one

C11H13NO2 — CID 142458909

IUPAC3,7-dimethyl-4,7-dihydrocyclohepta[e][1,3]oxazin-2-one
SMILESCC1C=CC2=C(C=C1)OC(=O)N(C)C2
InChIInChI=1S/C11H13NO2/c1-8-3-5-9-7-12(2)11(13)14-10(9)6-4-8/h3-6,8H,7H2,1-2H3
InChIKeyVDJXNKOIHREMCR-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.08
Rot. Bonds

About 3,7-dimethyl-4,7-dihydrocyclohepta[e][1,3]oxazin-2-one

3,7-dimethyl-4,7-dihydrocyclohepta[e][1,3]oxazin-2-one (PubChem CID 142458909) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3,7-dimethyl-4,7-dihydrocyclohepta[e][1,3]oxazin-2-one.

Molecular Properties

Compound Name3,7-dimethyl-4,7-dihydrocyclohepta[e][1,3]oxazin-2-one
PubChem CID142458909
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3,7-dimethyl-4,7-dihydrocyclohepta[e][1,3]oxazin-2-one
SMILESCC1C=CC2=C(C=C1)OC(=O)N(C)C2
InChIInChI=1S/C11H13NO2/c1-8-3-5-9-7-12(2)11(13)14-10(9)6-4-8/h3-6,8H,7H2,1-2H3
InChIKeyVDJXNKOIHREMCR-UHFFFAOYSA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-dimethyl-7H-cyclohepta[e][1,3]oxazine-2,4-dione
CID 142458899
5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one
CID 143798315
ethane;5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one
CID 143838743
5,6-bis(ethenyl)-3-methyl-4H-1,3-oxazin-2-one;ethane
CID 143838997
3,6-dimethyl-6H-cyclohepta[d][1,3]oxazol-2-one
CID 143839020
5,6-bis(ethenyl)-3-methyl-4H-1,3-oxazin-2-one;ethane
CID 143839029
3-methyl-5,6-bis[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one
CID 143839049
acetylene;ethane;6-ethenyl-5-ethyl-3-methyl-4H-1,3-oxazin-2-one
CID 144007690
(5Z,6E)-5,6-di(ethylidene)-3-methyl-1,3-oxazinan-2-one;propane
CID 144545928
ethane;(5Z,6E)-5-ethylidene-3-methyl-6-propylidene-1,3-oxazinan-2-one
CID 144547296
(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,3-oxazinan-2-one
CID 144852986
3-ethyl-6-methyl-6H-cyclohepta[d][1,3]oxazol-2-one
CID 145369363

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-4,7-dihydrocyclohepta[e][1,3]oxazin-2-one?
The IUPAC name of 3,7-dimethyl-4,7-dihydrocyclohepta[e][1,3]oxazin-2-one (CID 142458909) is 3,7-dimethyl-4,7-dihydrocyclohepta[e][1,3]oxazin-2-one.
What is the SMILES notation for 3,7-dimethyl-4,7-dihydrocyclohepta[e][1,3]oxazin-2-one?
The canonical SMILES for 3,7-dimethyl-4,7-dihydrocyclohepta[e][1,3]oxazin-2-one is CC1C=CC2=C(C=C1)OC(=O)N(C)C2.
What is the InChIKey of 3,7-dimethyl-4,7-dihydrocyclohepta[e][1,3]oxazin-2-one?
The InChIKey is VDJXNKOIHREMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8-3-5-9-7-12(2)11(13)14-10(9)6-4-8/h3-6,8H,7H2,1-2H3.
What are the key properties of 3,7-dimethyl-4,7-dihydrocyclohepta[e][1,3]oxazin-2-one?
3,7-dimethyl-4,7-dihydrocyclohepta[e][1,3]oxazin-2-one has a molecular weight of 191.23 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-4,7-dihydrocyclohepta[e][1,3]oxazin-2-one is sourced from PubChem (CID 142458909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).