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

C12H19NO — CID 70330097

IUPAC5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
SMILESC/C=C\C1=C(/C=C\C(C)C)NCCO1
InChIInChI=1S/C12H19NO/c1-4-5-12-11(7-6-10(2)3)13-8-9-14-12/h4-7,10,13H,8-9H2,1-3H3/b5-4-,7-6-
InChIKeyIMZFVGFLXNQPEX-RZSVFLSASA-N
MW193.29 g/mol
LogP2.61
Rot. Bonds3

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

5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine (PubChem CID 70330097) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Name5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
PubChem CID70330097
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
SMILESC/C=C\C1=C(/C=C\C(C)C)NCCO1
InChIInChI=1S/C12H19NO/c1-4-5-12-11(7-6-10(2)3)13-8-9-14-12/h4-7,10,13H,8-9H2,1-3H3/b5-4-,7-6-
InChIKeyIMZFVGFLXNQPEX-RZSVFLSASA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine with MolForge

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Related Compounds

(3Z,5E)-5-fluoro-7,8,10,11-tetrahydro-2H-1,8-benzoxazecine
CID 135193067
5-fluoro-7,8,10,11-tetrahydro-2H-1,8-benzoxazecine
CID 157996314
Diathoxydihydro-Collidin
CID 129629331
4-[2-(Methylamino)ethoxy]cyclohexa-2,4-dien-1-amine
CID 68200157
6-Ethenyl-3-ethoxy-2-methyl-1,2-dihydropyridine
CID 70281155
6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine
CID 87096481
14-Methoxy-6-oxa-3-azatricyclo[9.4.0.02,7]pentadeca-1,7,9,10,12,14-hexaene
CID 89139683
6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 89334732
[6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazin-3-yl]methanol
CID 89334774
4-[(6-Methyl-1,2-dihydropyridin-3-yl)oxy]cyclohexa-2,4-dien-1-amine
CID 89639811
5-methyl-6-(2-methylprop-1-enyl)-3,4-dihydro-2H-1,4-oxazine
CID 117949988
(2Z,6Z)-2,3-di(propan-2-yl)-5,8-dihydro-4H-1,4-oxazocine
CID 118583775

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine?
The IUPAC name of 5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine (CID 70330097) is 5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine.
What is the SMILES notation for 5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine?
The canonical SMILES for 5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine is C/C=C\C1=C(/C=C\C(C)C)NCCO1.
What is the InChIKey of 5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine?
The InChIKey is IMZFVGFLXNQPEX-RZSVFLSASA-N. The full InChI is InChI=1S/C12H19NO/c1-4-5-12-11(7-6-10(2)3)13-8-9-14-12/h4-7,10,13H,8-9H2,1-3H3/b5-4-,7-6-.
What are the key properties of 5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine?
5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine has a molecular weight of 193.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine is sourced from PubChem (CID 70330097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).