3-but-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine

C14H21NO — CID 123995320

IUPAC3-but-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine
SMILESCC=CC=C1C(=CC=C(C)C)OCCN1C
InChIInChI=1S/C14H21NO/c1-5-6-7-13-14(9-8-12(2)3)16-11-10-15(13)4/h5-9H,10-11H2,1-4H3
InChIKeyDWRXJZNGEIHFEJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.26
Rot. Bonds2

About 3-but-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine

3-but-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine (PubChem CID 123995320) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-but-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine.

Molecular Properties

Compound Name3-but-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine
PubChem CID123995320
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-but-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine
SMILESCC=CC=C1C(=CC=C(C)C)OCCN1C
InChIInChI=1S/C14H21NO/c1-5-6-7-13-14(9-8-12(2)3)16-11-10-15(13)4/h5-9H,10-11H2,1-4H3
InChIKeyDWRXJZNGEIHFEJ-UHFFFAOYSA-N
XLogP3.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-but-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine?
The IUPAC name of 3-but-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine (CID 123995320) is 3-but-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine.
What is the SMILES notation for 3-but-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine?
The canonical SMILES for 3-but-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine is CC=CC=C1C(=CC=C(C)C)OCCN1C.
What is the InChIKey of 3-but-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine?
The InChIKey is DWRXJZNGEIHFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-6-7-13-14(9-8-12(2)3)16-11-10-15(13)4/h5-9H,10-11H2,1-4H3.
What are the key properties of 3-but-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine?
3-but-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine has a molecular weight of 219.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine is sourced from PubChem (CID 123995320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).