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

C16H31NO — CID 145326230

IUPAC5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine;ethane;2-methylpropane
SMILESC/C=C\C1=C(/C=C\C)OCNC1.CC.CC(C)C
InChIInChI=1S/C10H15NO.C4H10.C2H6/c1-3-5-9-7-11-8-12-10(9)6-4-2;1-4(2)3;1-2/h3-6,11H,7-8H2,1-2H3;4H,1-3H3;1-2H3/b5-3-,6-4-;;
InChIKeyKWSKFOVMPCTDSY-FGDRDJDYSA-N
MW253.43 g/mol
LogP4.66
Rot. Bonds2

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

5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine;ethane;2-methylpropane (PubChem CID 145326230) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine;ethane;2-methylpropane.

Molecular Properties

Compound Name5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine;ethane;2-methylpropane
PubChem CID145326230
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine;ethane;2-methylpropane
SMILESC/C=C\C1=C(/C=C\C)OCNC1.CC.CC(C)C
InChIInChI=1S/C10H15NO.C4H10.C2H6/c1-3-5-9-7-11-8-12-10(9)6-4-2;1-4(2)3;1-2/h3-6,11H,7-8H2,1-2H3;4H,1-3H3;1-2H3/b5-3-,6-4-;;
InChIKeyKWSKFOVMPCTDSY-FGDRDJDYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine;ethane;2-methylpropane 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 5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine;ethane;2-methylpropane?
The IUPAC name of 5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine;ethane;2-methylpropane (CID 145326230) is 5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine;ethane;2-methylpropane.
What is the SMILES notation for 5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine;ethane;2-methylpropane?
The canonical SMILES for 5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine;ethane;2-methylpropane is C/C=C\C1=C(/C=C\C)OCNC1.CC.CC(C)C.
What is the InChIKey of 5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine;ethane;2-methylpropane?
The InChIKey is KWSKFOVMPCTDSY-FGDRDJDYSA-N. The full InChI is InChI=1S/C10H15NO.C4H10.C2H6/c1-3-5-9-7-11-8-12-10(9)6-4-2;1-4(2)3;1-2/h3-6,11H,7-8H2,1-2H3;4H,1-3H3;1-2H3/b5-3-,6-4-;;.
What are the key properties of 5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine;ethane;2-methylpropane?
5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine;ethane;2-methylpropane has a molecular weight of 253.43 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine;ethane;2-methylpropane is sourced from PubChem (CID 145326230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).