4-[(1E,3E)-2-methylpenta-1,3-dienyl]morpholine

C10H17NO — CID 10855873

IUPAC4-[(1E,3E)-2-methylpenta-1,3-dienyl]morpholine
SMILESC/C=C/C(C)=C/N1CCOCC1
InChIInChI=1S/C10H17NO/c1-3-4-10(2)9-11-5-7-12-8-6-11/h3-4,9H,5-8H2,1-2H3/b4-3+,10-9+
InChIKeySFDBTBLSCMSIJE-SCPMJEMWSA-N
MW167.25 g/mol
LogP1.80
Rot. Bonds2

About 4-[(1E,3E)-2-methylpenta-1,3-dienyl]morpholine

4-[(1E,3E)-2-methylpenta-1,3-dienyl]morpholine (PubChem CID 10855873) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-[(1E,3E)-2-methylpenta-1,3-dienyl]morpholine.

Molecular Properties

Compound Name4-[(1E,3E)-2-methylpenta-1,3-dienyl]morpholine
PubChem CID10855873
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-[(1E,3E)-2-methylpenta-1,3-dienyl]morpholine
SMILESC/C=C/C(C)=C/N1CCOCC1
InChIInChI=1S/C10H17NO/c1-3-4-10(2)9-11-5-7-12-8-6-11/h3-4,9H,5-8H2,1-2H3/b4-3+,10-9+
InChIKeySFDBTBLSCMSIJE-SCPMJEMWSA-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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Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3E)-2-methylpenta-1,3-dienyl]morpholine?
The IUPAC name of 4-[(1E,3E)-2-methylpenta-1,3-dienyl]morpholine (CID 10855873) is 4-[(1E,3E)-2-methylpenta-1,3-dienyl]morpholine.
What is the SMILES notation for 4-[(1E,3E)-2-methylpenta-1,3-dienyl]morpholine?
The canonical SMILES for 4-[(1E,3E)-2-methylpenta-1,3-dienyl]morpholine is C/C=C/C(C)=C/N1CCOCC1.
What is the InChIKey of 4-[(1E,3E)-2-methylpenta-1,3-dienyl]morpholine?
The InChIKey is SFDBTBLSCMSIJE-SCPMJEMWSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-10(2)9-11-5-7-12-8-6-11/h3-4,9H,5-8H2,1-2H3/b4-3+,10-9+.
What are the key properties of 4-[(1E,3E)-2-methylpenta-1,3-dienyl]morpholine?
4-[(1E,3E)-2-methylpenta-1,3-dienyl]morpholine 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-[(1E,3E)-2-methylpenta-1,3-dienyl]morpholine is sourced from PubChem (CID 10855873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).