(2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]morpholine

C12H19NO — CID 142245199

IUPAC(2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]morpholine
SMILESC/C=C\C=C1\OCCN\C1=C(\C)CC
InChIInChI=1S/C12H19NO/c1-4-6-7-11-12(10(3)5-2)13-8-9-14-11/h4,6-7,13H,5,8-9H2,1-3H3/b6-4-,11-7+,12-10-
InChIKeyNDPGCCDKKBRCIY-YTUNHHTKSA-N
MW193.29 g/mol
LogP2.75
Rot. Bonds2

About (2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]morpholine

(2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]morpholine (PubChem CID 142245199) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]morpholine.

Molecular Properties

Compound Name(2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]morpholine
PubChem CID142245199
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]morpholine
SMILESC/C=C\C=C1\OCCN\C1=C(\C)CC
InChIInChI=1S/C12H19NO/c1-4-6-7-11-12(10(3)5-2)13-8-9-14-11/h4,6-7,13H,5,8-9H2,1-3H3/b6-4-,11-7+,12-10-
InChIKeyNDPGCCDKKBRCIY-YTUNHHTKSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]morpholine?
The IUPAC name of (2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]morpholine (CID 142245199) is (2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]morpholine.
What is the SMILES notation for (2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]morpholine?
The canonical SMILES for (2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]morpholine is C/C=C\C=C1\OCCN\C1=C(\C)CC.
What is the InChIKey of (2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]morpholine?
The InChIKey is NDPGCCDKKBRCIY-YTUNHHTKSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-6-7-11-12(10(3)5-2)13-8-9-14-11/h4,6-7,13H,5,8-9H2,1-3H3/b6-4-,11-7+,12-10-.
What are the key properties of (2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]morpholine?
(2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]morpholine has a molecular weight of 193.29 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]morpholine is sourced from PubChem (CID 142245199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).