4-(5-methylhexa-2,4-dien-3-yl)morpholine

C11H19NO — CID 90845057

IUPAC4-(5-methylhexa-2,4-dien-3-yl)morpholine
SMILESCC=C(C=C(C)C)N1CCOCC1
InChIInChI=1S/C11H19NO/c1-4-11(9-10(2)3)12-5-7-13-8-6-12/h4,9H,5-8H2,1-3H3
InChIKeyXVECNMKEOSTDTM-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.19
Rot. Bonds2

About 4-(5-methylhexa-2,4-dien-3-yl)morpholine

4-(5-methylhexa-2,4-dien-3-yl)morpholine (PubChem CID 90845057) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-(5-methylhexa-2,4-dien-3-yl)morpholine.

Molecular Properties

Compound Name4-(5-methylhexa-2,4-dien-3-yl)morpholine
PubChem CID90845057
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-(5-methylhexa-2,4-dien-3-yl)morpholine
SMILESCC=C(C=C(C)C)N1CCOCC1
InChIInChI=1S/C11H19NO/c1-4-11(9-10(2)3)12-5-7-13-8-6-12/h4,9H,5-8H2,1-3H3
InChIKeyXVECNMKEOSTDTM-UHFFFAOYSA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(5-methylhexa-2,4-dien-3-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-but-2-en-2-yl]morpholine
CID 12467373
4-(3-Methylbuta-1,3-dien-2-yl)morpholine
CID 11116257
Morpholine, 4-(1,2-dimethyl-1-propenyl)-
CID 12199318
Morpholine, 4-(3-methyl-2-butenyl)-
CID 12585158
4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine
CID 12794203
4-(But-2-en-2-yl)morpholine
CID 53949343
4-[(3E)-2-fluoropenta-1,3-dien-3-yl]morpholine
CID 135170053
(2E,4E)-5-fluoro-6-morpholin-4-ylhepta-2,4,6-trien-3-amine
CID 143062168
4-[(3E)-3-fluoropenta-1,3-dien-2-yl]morpholine
CID 143431081
4-[(2E,4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]morpholine
CID 144253116
4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine
CID 166687859
4-(5-Ethyl-7-fluorocyclohepta-1,4,6-trien-1-yl)morpholine
CID 167284429

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylhexa-2,4-dien-3-yl)morpholine?
The IUPAC name of 4-(5-methylhexa-2,4-dien-3-yl)morpholine (CID 90845057) is 4-(5-methylhexa-2,4-dien-3-yl)morpholine.
What is the SMILES notation for 4-(5-methylhexa-2,4-dien-3-yl)morpholine?
The canonical SMILES for 4-(5-methylhexa-2,4-dien-3-yl)morpholine is CC=C(C=C(C)C)N1CCOCC1.
What is the InChIKey of 4-(5-methylhexa-2,4-dien-3-yl)morpholine?
The InChIKey is XVECNMKEOSTDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-11(9-10(2)3)12-5-7-13-8-6-12/h4,9H,5-8H2,1-3H3.
What are the key properties of 4-(5-methylhexa-2,4-dien-3-yl)morpholine?
4-(5-methylhexa-2,4-dien-3-yl)morpholine has a molecular weight of 181.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylhexa-2,4-dien-3-yl)morpholine is sourced from PubChem (CID 90845057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).