4-hexa-2,4-dien-3-ylmorpholine

C10H17NO — CID 90725635

IUPAC4-hexa-2,4-dien-3-ylmorpholine
SMILESCC=CC(=CC)N1CCOCC1
InChIInChI=1S/C10H17NO/c1-3-5-10(4-2)11-6-8-12-9-7-11/h3-5H,6-9H2,1-2H3
InChIKeyDHBNIZQFEZSNHD-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.80
Rot. Bonds2

About 4-hexa-2,4-dien-3-ylmorpholine

4-hexa-2,4-dien-3-ylmorpholine (PubChem CID 90725635) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-hexa-2,4-dien-3-ylmorpholine.

Molecular Properties

Compound Name4-hexa-2,4-dien-3-ylmorpholine
PubChem CID90725635
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-hexa-2,4-dien-3-ylmorpholine
SMILESCC=CC(=CC)N1CCOCC1
InChIInChI=1S/C10H17NO/c1-3-5-10(4-2)11-6-8-12-9-7-11/h3-5H,6-9H2,1-2H3
InChIKeyDHBNIZQFEZSNHD-UHFFFAOYSA-N
XLogP1.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-4-(prop-2-en-1-yl)morpholin-4-ium
CID 18617911
4-[(E)-but-2-en-2-yl]morpholine
CID 12467373
4-[(E)-but-2-enyl]morpholine
CID 10909666
4-[(Z)-but-2-enyl]morpholine
CID 11768672
4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine
CID 12794203
4-(But-2-en-2-yl)morpholine
CID 53949343
1-Morpholino-2-butene
CID 54273278
4-Ethyl-4-prop-2-enylmorpholin-4-ium
CID 68589736
4-(Morpholin-1-yl)phenylmagnesium bromide, 0.25 M in THF
CID 85865892
4-[(2E,4E)-4-fluorohexa-2,4-dien-2-yl]-2,6-dimethylmorpholine
CID 89214988
(2E,4Z)-1-fluoro-6-morpholin-4-ylhexa-2,4-dien-3-amine
CID 89774520
4-(4-Fluoropenta-1,3-dien-3-yl)morpholine
CID 123587571

Frequently Asked Questions

What is the IUPAC name of 4-hexa-2,4-dien-3-ylmorpholine?
The IUPAC name of 4-hexa-2,4-dien-3-ylmorpholine (CID 90725635) is 4-hexa-2,4-dien-3-ylmorpholine.
What is the SMILES notation for 4-hexa-2,4-dien-3-ylmorpholine?
The canonical SMILES for 4-hexa-2,4-dien-3-ylmorpholine is CC=CC(=CC)N1CCOCC1.
What is the InChIKey of 4-hexa-2,4-dien-3-ylmorpholine?
The InChIKey is DHBNIZQFEZSNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-5-10(4-2)11-6-8-12-9-7-11/h3-5H,6-9H2,1-2H3.
What are the key properties of 4-hexa-2,4-dien-3-ylmorpholine?
4-hexa-2,4-dien-3-ylmorpholine has a molecular weight of 167.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexa-2,4-dien-3-ylmorpholine is sourced from PubChem (CID 90725635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).