(5E,6E)-4-propan-2-yl-2,3-bis[(Z)-prop-1-enyl]-5,6-bis(prop-2-enylidene)-1,4-oxazine

C19H25NO — CID 130410996

IUPAC(5E,6E)-4-propan-2-yl-2,3-bis[(Z)-prop-1-enyl]-5,6-bis(prop-2-enylidene)-1,4-oxazine
SMILESC=C/C=C1/OC(/C=C\C)=C(/C=C\C)N(C(C)C)/C1=C/C=C
InChIInChI=1S/C19H25NO/c1-7-11-16-18(13-9-3)21-19(14-10-4)17(12-8-2)20(16)15(5)6/h7-15H,1,3H2,2,4-6H3/b12-8-,14-10-,16-11+,18-13+
InChIKeyGJTVJHRCPHUAPF-XRFPCQHGSA-N
MW283.42 g/mol
LogP5.23
Rot. Bonds5

About (5E,6E)-4-propan-2-yl-2,3-bis[(Z)-prop-1-enyl]-5,6-bis(prop-2-enylidene)-1,4-oxazine

(5E,6E)-4-propan-2-yl-2,3-bis[(Z)-prop-1-enyl]-5,6-bis(prop-2-enylidene)-1,4-oxazine (PubChem CID 130410996) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (5E,6E)-4-propan-2-yl-2,3-bis[(Z)-prop-1-enyl]-5,6-bis(prop-2-enylidene)-1,4-oxazine.

Molecular Properties

Compound Name(5E,6E)-4-propan-2-yl-2,3-bis[(Z)-prop-1-enyl]-5,6-bis(prop-2-enylidene)-1,4-oxazine
PubChem CID130410996
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(5E,6E)-4-propan-2-yl-2,3-bis[(Z)-prop-1-enyl]-5,6-bis(prop-2-enylidene)-1,4-oxazine
SMILESC=C/C=C1/OC(/C=C\C)=C(/C=C\C)N(C(C)C)/C1=C/C=C
InChIInChI=1S/C19H25NO/c1-7-11-16-18(13-9-3)21-19(14-10-4)17(12-8-2)20(16)15(5)6/h7-15H,1,3H2,2,4-6H3/b12-8-,14-10-,16-11+,18-13+
InChIKeyGJTVJHRCPHUAPF-XRFPCQHGSA-N
XLogP5.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E,6E)-4-propan-2-yl-2,3-bis[(Z)-prop-1-enyl]-5,6-bis(prop-2-enylidene)-1,4-oxazine?
The IUPAC name of (5E,6E)-4-propan-2-yl-2,3-bis[(Z)-prop-1-enyl]-5,6-bis(prop-2-enylidene)-1,4-oxazine (CID 130410996) is (5E,6E)-4-propan-2-yl-2,3-bis[(Z)-prop-1-enyl]-5,6-bis(prop-2-enylidene)-1,4-oxazine.
What is the SMILES notation for (5E,6E)-4-propan-2-yl-2,3-bis[(Z)-prop-1-enyl]-5,6-bis(prop-2-enylidene)-1,4-oxazine?
The canonical SMILES for (5E,6E)-4-propan-2-yl-2,3-bis[(Z)-prop-1-enyl]-5,6-bis(prop-2-enylidene)-1,4-oxazine is C=C/C=C1/OC(/C=C\C)=C(/C=C\C)N(C(C)C)/C1=C/C=C.
What is the InChIKey of (5E,6E)-4-propan-2-yl-2,3-bis[(Z)-prop-1-enyl]-5,6-bis(prop-2-enylidene)-1,4-oxazine?
The InChIKey is GJTVJHRCPHUAPF-XRFPCQHGSA-N. The full InChI is InChI=1S/C19H25NO/c1-7-11-16-18(13-9-3)21-19(14-10-4)17(12-8-2)20(16)15(5)6/h7-15H,1,3H2,2,4-6H3/b12-8-,14-10-,16-11+,18-13+.
What are the key properties of (5E,6E)-4-propan-2-yl-2,3-bis[(Z)-prop-1-enyl]-5,6-bis(prop-2-enylidene)-1,4-oxazine?
(5E,6E)-4-propan-2-yl-2,3-bis[(Z)-prop-1-enyl]-5,6-bis(prop-2-enylidene)-1,4-oxazine has a molecular weight of 283.42 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-4-propan-2-yl-2,3-bis[(Z)-prop-1-enyl]-5,6-bis(prop-2-enylidene)-1,4-oxazine is sourced from PubChem (CID 130410996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).