(2E,3E)-4-methyl-3-(2-methylpropylidene)-2-prop-2-enylidenemorpholine

C12H19NO — CID 138531975

IUPAC(2E,3E)-4-methyl-3-(2-methylpropylidene)-2-prop-2-enylidenemorpholine
SMILESC=C/C=C1/OCCN(C)/C1=C/C(C)C
InChIInChI=1S/C12H19NO/c1-5-6-12-11(9-10(2)3)13(4)7-8-14-12/h5-6,9-10H,1,7-8H2,2-4H3/b11-9+,12-6+
InChIKeyUASBSXRSVMCUJP-WIPAEPSYSA-N
MW193.29 g/mol
LogP2.56
Rot. Bonds2

About (2E,3E)-4-methyl-3-(2-methylpropylidene)-2-prop-2-enylidenemorpholine

(2E,3E)-4-methyl-3-(2-methylpropylidene)-2-prop-2-enylidenemorpholine (PubChem CID 138531975) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2E,3E)-4-methyl-3-(2-methylpropylidene)-2-prop-2-enylidenemorpholine.

Molecular Properties

Compound Name(2E,3E)-4-methyl-3-(2-methylpropylidene)-2-prop-2-enylidenemorpholine
PubChem CID138531975
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2E,3E)-4-methyl-3-(2-methylpropylidene)-2-prop-2-enylidenemorpholine
SMILESC=C/C=C1/OCCN(C)/C1=C/C(C)C
InChIInChI=1S/C12H19NO/c1-5-6-12-11(9-10(2)3)13(4)7-8-14-12/h5-6,9-10H,1,7-8H2,2-4H3/b11-9+,12-6+
InChIKeyUASBSXRSVMCUJP-WIPAEPSYSA-N
XLogP2.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E,3E)-4-methyl-3-(2-methylpropylidene)-2-prop-2-enylidenemorpholine?
The IUPAC name of (2E,3E)-4-methyl-3-(2-methylpropylidene)-2-prop-2-enylidenemorpholine (CID 138531975) is (2E,3E)-4-methyl-3-(2-methylpropylidene)-2-prop-2-enylidenemorpholine.
What is the SMILES notation for (2E,3E)-4-methyl-3-(2-methylpropylidene)-2-prop-2-enylidenemorpholine?
The canonical SMILES for (2E,3E)-4-methyl-3-(2-methylpropylidene)-2-prop-2-enylidenemorpholine is C=C/C=C1/OCCN(C)/C1=C/C(C)C.
What is the InChIKey of (2E,3E)-4-methyl-3-(2-methylpropylidene)-2-prop-2-enylidenemorpholine?
The InChIKey is UASBSXRSVMCUJP-WIPAEPSYSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-6-12-11(9-10(2)3)13(4)7-8-14-12/h5-6,9-10H,1,7-8H2,2-4H3/b11-9+,12-6+.
What are the key properties of (2E,3E)-4-methyl-3-(2-methylpropylidene)-2-prop-2-enylidenemorpholine?
(2E,3E)-4-methyl-3-(2-methylpropylidene)-2-prop-2-enylidenemorpholine has a molecular weight of 193.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-4-methyl-3-(2-methylpropylidene)-2-prop-2-enylidenemorpholine is sourced from PubChem (CID 138531975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).