4-buta-2,3-dienylmorpholine

C8H13NO — CID 567704

IUPAC4-buta-2,3-dienylmorpholine
SMILESC=C=CCN1CCOCC1
InChIInChI=1S/C8H13NO/c1-2-3-4-9-5-7-10-8-6-9/h3H,1,4-8H2
InChIKeyRDNKQQDJRLTALW-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.66
Rot. Bonds2

About 4-buta-2,3-dienylmorpholine

4-buta-2,3-dienylmorpholine (PubChem CID 567704) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-buta-2,3-dienylmorpholine.

Molecular Properties

Compound Name4-buta-2,3-dienylmorpholine
PubChem CID567704
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-buta-2,3-dienylmorpholine
SMILESC=C=CCN1CCOCC1
InChIInChI=1S/C8H13NO/c1-2-3-4-9-5-7-10-8-6-9/h3H,1,4-8H2
InChIKeyRDNKQQDJRLTALW-UHFFFAOYSA-N
XLogP0.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Allylmorpholine
CID 136522
N,N-diallylmorpholinium bromide
CID 11831774
4,4-Bis(prop-2-enyl)morpholin-4-ium
CID 3143098
4-Methyl-4-(prop-2-en-1-yl)morpholin-4-ium
CID 18617911
4-(2-Methylprop-2-enyl)morpholine
CID 10855555
4-[(E)-but-2-enyl]morpholine
CID 10909666
4-[(Z)-but-2-enyl]morpholine
CID 11768672
Morpholine, 4-(3-methyl-2-butenyl)-
CID 12585158
Morpholinoallene
CID 12721261
N,N-diallylmorpholinium chloride
CID 12977404
n-Allyl-n-methylmorpholinium bromide
CID 18617910
4-Allylmorpholine hydrochloride
CID 24201078

Frequently Asked Questions

What is the IUPAC name of 4-buta-2,3-dienylmorpholine?
The IUPAC name of 4-buta-2,3-dienylmorpholine (CID 567704) is 4-buta-2,3-dienylmorpholine.
What is the SMILES notation for 4-buta-2,3-dienylmorpholine?
The canonical SMILES for 4-buta-2,3-dienylmorpholine is C=C=CCN1CCOCC1.
What is the InChIKey of 4-buta-2,3-dienylmorpholine?
The InChIKey is RDNKQQDJRLTALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-4-9-5-7-10-8-6-9/h3H,1,4-8H2.
What are the key properties of 4-buta-2,3-dienylmorpholine?
4-buta-2,3-dienylmorpholine has a molecular weight of 139.20 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-buta-2,3-dienylmorpholine is sourced from PubChem (CID 567704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).