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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).