ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine

C11H19NO — CID 142875398

IUPACethane;6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
SMILESC=CC1=C(/C=C\C)NCCO1.CC
InChIInChI=1S/C9H13NO.C2H6/c1-3-5-8-9(4-2)11-7-6-10-8;1-2/h3-5,10H,2,6-7H2,1H3;1-2H3/b5-3-;
InChIKeyDDWAOWCDNGHPBR-FBZPGIPVSA-N
MW181.28 g/mol
LogP2.61
Rot. Bonds2

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

ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine (PubChem CID 142875398) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Nameethane;6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
PubChem CID142875398
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameethane;6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
SMILESC=CC1=C(/C=C\C)NCCO1.CC
InChIInChI=1S/C9H13NO.C2H6/c1-3-5-8-9(4-2)11-7-6-10-8;1-2/h3-5,10H,2,6-7H2,1H3;1-2H3/b5-3-;
InChIKeyDDWAOWCDNGHPBR-FBZPGIPVSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;6-ethenyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1,4-oxazepine
CID 145208551
but-1-ene;ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-6,7-dihydro-5H-1,4-dioxepine;propane
CID 177189450
6-ethenyl-5-[(Z)-prop-1-enyl]-4H-1,4-oxazin-3-one
CID 134485479
6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran
CID 70273510
2,3-bis(ethenyl)-6,7-dihydro-5H-1,4-dioxepine;ethane
CID 168899023
5,6-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxine
CID 146396950
N-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)methanimine
CID 164919011
ethane;5-ethenyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrimidin-4-one
CID 143089748
4,5-bis[(Z)-prop-1-enyl]-2,3-dihydrofuran;ethane
CID 145446824
5,6-bis(ethenyl)-1,2,3,4-tetrahydropyrazine
CID 143140752
(1E)-1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)buta-1,3-dien-1-amine
CID 167072784
6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyran-4-one
CID 155711315

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine?
The IUPAC name of ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine (CID 142875398) is ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine.
What is the SMILES notation for ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine?
The canonical SMILES for ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine is C=CC1=C(/C=C\C)NCCO1.CC.
What is the InChIKey of ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine?
The InChIKey is DDWAOWCDNGHPBR-FBZPGIPVSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-3-5-8-9(4-2)11-7-6-10-8;1-2/h3-5,10H,2,6-7H2,1H3;1-2H3/b5-3-;.
What are the key properties of ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine?
ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine has a molecular weight of 181.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine is sourced from PubChem (CID 142875398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).