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

C9H11NO2 — CID 134485479

IUPAC6-ethenyl-5-[(Z)-prop-1-enyl]-4H-1,4-oxazin-3-one
SMILESC=CC1=C(/C=C\C)NC(=O)CO1
InChIInChI=1S/C9H11NO2/c1-3-5-7-8(4-2)12-6-9(11)10-7/h3-5H,2,6H2,1H3,(H,10,11)/b5-3-
InChIKeyBDNUIPOVEYOJBK-HYXAFXHYSA-N
MW165.19 g/mol
LogP1.11
Rot. Bonds2

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

6-ethenyl-5-[(Z)-prop-1-enyl]-4H-1,4-oxazin-3-one (PubChem CID 134485479) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 6-ethenyl-5-[(Z)-prop-1-enyl]-4H-1,4-oxazin-3-one.

Molecular Properties

Compound Name6-ethenyl-5-[(Z)-prop-1-enyl]-4H-1,4-oxazin-3-one
PubChem CID134485479
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name6-ethenyl-5-[(Z)-prop-1-enyl]-4H-1,4-oxazin-3-one
SMILESC=CC1=C(/C=C\C)NC(=O)CO1
InChIInChI=1S/C9H11NO2/c1-3-5-7-8(4-2)12-6-9(11)10-7/h3-5H,2,6H2,1H3,(H,10,11)/b5-3-
InChIKeyBDNUIPOVEYOJBK-HYXAFXHYSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 142875398
4,5-bis[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one
CID 129180583
6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyran-4-one
CID 155711315
(5E,6E)-5,6-bis(prop-2-enylidene)morpholin-3-one
CID 143243865
6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran
CID 70273510
2-ethenyl-9-[4-(methylamino)phenyl]-3-[(Z)-prop-1-enyl]-1-oxa-4,9-diazaspiro[5.5]undec-2-en-5-one
CID 145015377
7-ethenyl-6,8-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 144500148
5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine
CID 163864435
ethane;5-ethenyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrimidin-4-one
CID 143089748
4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazol-2-one
CID 130247435
6-ethenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 118798842
1-[6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-2-yl]-N-methylmethanamine
CID 142260505

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-5-[(Z)-prop-1-enyl]-4H-1,4-oxazin-3-one?
The IUPAC name of 6-ethenyl-5-[(Z)-prop-1-enyl]-4H-1,4-oxazin-3-one (CID 134485479) is 6-ethenyl-5-[(Z)-prop-1-enyl]-4H-1,4-oxazin-3-one.
What is the SMILES notation for 6-ethenyl-5-[(Z)-prop-1-enyl]-4H-1,4-oxazin-3-one?
The canonical SMILES for 6-ethenyl-5-[(Z)-prop-1-enyl]-4H-1,4-oxazin-3-one is C=CC1=C(/C=C\C)NC(=O)CO1.
What is the InChIKey of 6-ethenyl-5-[(Z)-prop-1-enyl]-4H-1,4-oxazin-3-one?
The InChIKey is BDNUIPOVEYOJBK-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-3-5-7-8(4-2)12-6-9(11)10-7/h3-5H,2,6H2,1H3,(H,10,11)/b5-3-.
What are the key properties of 6-ethenyl-5-[(Z)-prop-1-enyl]-4H-1,4-oxazin-3-one?
6-ethenyl-5-[(Z)-prop-1-enyl]-4H-1,4-oxazin-3-one has a molecular weight of 165.19 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5-[(Z)-prop-1-enyl]-4H-1,4-oxazin-3-one is sourced from PubChem (CID 134485479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).