4-[(4E)-4-ethenyl-3-methylhepta-4,6-dienyl]morpholine

C14H23NO — CID 142907065

IUPAC4-[(4E)-4-ethenyl-3-methylhepta-4,6-dienyl]morpholine
SMILESC=C/C=C(\C=C)C(C)CCN1CCOCC1
InChIInChI=1S/C14H23NO/c1-4-6-14(5-2)13(3)7-8-15-9-11-16-12-10-15/h4-6,13H,1-2,7-12H2,3H3/b14-6+
InChIKeyHUHJTLQMAHISNI-MKMNVTDBSA-N
MW221.34 g/mol
LogP2.64
Rot. Bonds6

About 4-[(4E)-4-ethenyl-3-methylhepta-4,6-dienyl]morpholine

4-[(4E)-4-ethenyl-3-methylhepta-4,6-dienyl]morpholine (PubChem CID 142907065) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-[(4E)-4-ethenyl-3-methylhepta-4,6-dienyl]morpholine.

Molecular Properties

Compound Name4-[(4E)-4-ethenyl-3-methylhepta-4,6-dienyl]morpholine
PubChem CID142907065
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-[(4E)-4-ethenyl-3-methylhepta-4,6-dienyl]morpholine
SMILESC=C/C=C(\C=C)C(C)CCN1CCOCC1
InChIInChI=1S/C14H23NO/c1-4-6-14(5-2)13(3)7-8-15-9-11-16-12-10-15/h4-6,13H,1-2,7-12H2,3H3/b14-6+
InChIKeyHUHJTLQMAHISNI-MKMNVTDBSA-N
XLogP2.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.64
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-(3-Cyclohexen-1-ylmethyl)morpholine
CID 2849466
(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
4-[[(6S)-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-dien-1-yl]methyl]morpholine
CID 71194659
4-[3-(6,7-Difluoro-5-methylcyclohepta-1,4,6-trien-1-yl)propyl]morpholine
CID 155442399
2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]-4-methylmorpholine
CID 164918323
4-(2-Fluorocyclohexa-1,5-dien-1-yl)-1-(2-methoxyethyl)piperidine
CID 173172155
4-[(4-Fluorocyclohexa-1,3-dien-1-yl)methyl]morpholine
CID 173278766
4-[1-(4-Fluorocyclohexa-2,4-dien-1-yl)propyl]morpholine
CID 144553453
Pkjsrdwzggnfmj-kcfshnhpsa-
CID 12530642
4-(3,5-Dimethylhex-4-enyl)morpholine
CID 15370630
4-[(2E)-2-ethylidene-6-methylhept-5-enyl]morpholine
CID 49780955

Frequently Asked Questions

What is the IUPAC name of 4-[(4E)-4-ethenyl-3-methylhepta-4,6-dienyl]morpholine?
The IUPAC name of 4-[(4E)-4-ethenyl-3-methylhepta-4,6-dienyl]morpholine (CID 142907065) is 4-[(4E)-4-ethenyl-3-methylhepta-4,6-dienyl]morpholine.
What is the SMILES notation for 4-[(4E)-4-ethenyl-3-methylhepta-4,6-dienyl]morpholine?
The canonical SMILES for 4-[(4E)-4-ethenyl-3-methylhepta-4,6-dienyl]morpholine is C=C/C=C(\C=C)C(C)CCN1CCOCC1.
What is the InChIKey of 4-[(4E)-4-ethenyl-3-methylhepta-4,6-dienyl]morpholine?
The InChIKey is HUHJTLQMAHISNI-MKMNVTDBSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-6-14(5-2)13(3)7-8-15-9-11-16-12-10-15/h4-6,13H,1-2,7-12H2,3H3/b14-6+.
What are the key properties of 4-[(4E)-4-ethenyl-3-methylhepta-4,6-dienyl]morpholine?
4-[(4E)-4-ethenyl-3-methylhepta-4,6-dienyl]morpholine has a molecular weight of 221.34 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E)-4-ethenyl-3-methylhepta-4,6-dienyl]morpholine is sourced from PubChem (CID 142907065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).