4-oct-2-en-4-ylmorpholine

C12H23NO — CID 3786404

IUPAC4-oct-2-en-4-ylmorpholine
SMILESCC=CC(CCCC)N1CCOCC1
InChIInChI=1S/C12H23NO/c1-3-5-7-12(6-4-2)13-8-10-14-11-9-13/h4,6,12H,3,5,7-11H2,1-2H3
InChIKeyQAKSIGRPIXACRX-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.45
Rot. Bonds5

About 4-oct-2-en-4-ylmorpholine

4-oct-2-en-4-ylmorpholine (PubChem CID 3786404) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-oct-2-en-4-ylmorpholine.

Molecular Properties

Compound Name4-oct-2-en-4-ylmorpholine
PubChem CID3786404
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-oct-2-en-4-ylmorpholine
SMILESCC=CC(CCCC)N1CCOCC1
InChIInChI=1S/C12H23NO/c1-3-5-7-12(6-4-2)13-8-10-14-11-9-13/h4,6,12H,3,5,7-11H2,1-2H3
InChIKeyQAKSIGRPIXACRX-UHFFFAOYSA-N
XLogP2.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Morpholine, 4-(1-cyclohexen-1-yl)-
CID 69589
(Z)-4-(Octadec-9-en-1-yl)morpholine
CID 13947581
ST50979702
CID 5801574
4-(Cyclopent-2-en-1-yl)morpholine
CID 222022
4-(Cyclohex-2-en-1-yl)morpholine
CID 258775
Trihydro(4-phenylmorpholine-N4)boron
CID 90476637
4-(2-Fluorocyclohept-2-en-1-yl)morpholine
CID 134862970
4-Icosa-5,8,11,14-tetraenylmorpholine
CID 49824013
1-Morpholyl-2,7-octadiene
CID 331750
N-(3-penten-2-yl)-morpholine
CID 3828336
(e)-4-(2-Methyl-6-methyleneocta-2,7-dien-1-yl)morpholine
CID 137797148
(z)-4-(2-Methyl-6-methyleneocta-2,7-dien-1-yl)morpholine
CID 137797149

Frequently Asked Questions

What is the IUPAC name of 4-oct-2-en-4-ylmorpholine?
The IUPAC name of 4-oct-2-en-4-ylmorpholine (CID 3786404) is 4-oct-2-en-4-ylmorpholine.
What is the SMILES notation for 4-oct-2-en-4-ylmorpholine?
The canonical SMILES for 4-oct-2-en-4-ylmorpholine is CC=CC(CCCC)N1CCOCC1.
What is the InChIKey of 4-oct-2-en-4-ylmorpholine?
The InChIKey is QAKSIGRPIXACRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-5-7-12(6-4-2)13-8-10-14-11-9-13/h4,6,12H,3,5,7-11H2,1-2H3.
What are the key properties of 4-oct-2-en-4-ylmorpholine?
4-oct-2-en-4-ylmorpholine has a molecular weight of 197.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oct-2-en-4-ylmorpholine is sourced from PubChem (CID 3786404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).