ethane;5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one

C14H25NO2 — CID 143838743

IUPACethane;5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one
SMILESC=CC1=C(/C=C\C)OC(=O)N(C)C1.CC.CC
InChIInChI=1S/C10H13NO2.2C2H6/c1-4-6-9-8(5-2)7-11(3)10(12)13-9;2*1-2/h4-6H,2,7H2,1,3H3;2*1-2H3/b6-4-;;
InChIKeyMRMQVDIHZBQISQ-XFUGJFOESA-N
MW239.36 g/mol
LogP4.14
Rot. Bonds2

About ethane;5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one

ethane;5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one (PubChem CID 143838743) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethane;5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one.

Molecular Properties

Compound Nameethane;5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one
PubChem CID143838743
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethane;5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one
SMILESC=CC1=C(/C=C\C)OC(=O)N(C)C1.CC.CC
InChIInChI=1S/C10H13NO2.2C2H6/c1-4-6-9-8(5-2)7-11(3)10(12)13-9;2*1-2/h4-6H,2,7H2,1,3H3;2*1-2H3/b6-4-;;
InChIKeyMRMQVDIHZBQISQ-XFUGJFOESA-N
XLogP4.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one?
The IUPAC name of ethane;5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one (CID 143838743) is ethane;5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one.
What is the SMILES notation for ethane;5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one?
The canonical SMILES for ethane;5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one is C=CC1=C(/C=C\C)OC(=O)N(C)C1.CC.CC.
What is the InChIKey of ethane;5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one?
The InChIKey is MRMQVDIHZBQISQ-XFUGJFOESA-N. The full InChI is InChI=1S/C10H13NO2.2C2H6/c1-4-6-9-8(5-2)7-11(3)10(12)13-9;2*1-2/h4-6H,2,7H2,1,3H3;2*1-2H3/b6-4-;;.
What are the key properties of ethane;5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one?
ethane;5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one has a molecular weight of 239.36 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one is sourced from PubChem (CID 143838743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).