[4-[(3Z)-penta-1,3-dien-2-yl]morpholin-2-yl]methanol

C10H17NO2 — CID 139358738

IUPAC[4-[(3Z)-penta-1,3-dien-2-yl]morpholin-2-yl]methanol
SMILESC=C(/C=C\C)N1CCOC(CO)C1
InChIInChI=1S/C10H17NO2/c1-3-4-9(2)11-5-6-13-10(7-11)8-12/h3-4,10,12H,2,5-8H2,1H3/b4-3-
InChIKeyWVUOSSPFYAQPCY-ARJAWSKDSA-N
MW183.25 g/mol
LogP0.77
Rot. Bonds3

About [4-[(3Z)-penta-1,3-dien-2-yl]morpholin-2-yl]methanol

[4-[(3Z)-penta-1,3-dien-2-yl]morpholin-2-yl]methanol (PubChem CID 139358738) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is [4-[(3Z)-penta-1,3-dien-2-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(3Z)-penta-1,3-dien-2-yl]morpholin-2-yl]methanol
PubChem CID139358738
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name[4-[(3Z)-penta-1,3-dien-2-yl]morpholin-2-yl]methanol
SMILESC=C(/C=C\C)N1CCOC(CO)C1
InChIInChI=1S/C10H17NO2/c1-3-4-9(2)11-5-6-13-10(7-11)8-12/h3-4,10,12H,2,5-8H2,1H3/b4-3-
InChIKeyWVUOSSPFYAQPCY-ARJAWSKDSA-N
XLogP0.77
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(3Z)-penta-1,3-dien-2-yl]morpholin-2-yl]methanol?
The IUPAC name of [4-[(3Z)-penta-1,3-dien-2-yl]morpholin-2-yl]methanol (CID 139358738) is [4-[(3Z)-penta-1,3-dien-2-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[(3Z)-penta-1,3-dien-2-yl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[(3Z)-penta-1,3-dien-2-yl]morpholin-2-yl]methanol is C=C(/C=C\C)N1CCOC(CO)C1.
What is the InChIKey of [4-[(3Z)-penta-1,3-dien-2-yl]morpholin-2-yl]methanol?
The InChIKey is WVUOSSPFYAQPCY-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-4-9(2)11-5-6-13-10(7-11)8-12/h3-4,10,12H,2,5-8H2,1H3/b4-3-.
What are the key properties of [4-[(3Z)-penta-1,3-dien-2-yl]morpholin-2-yl]methanol?
[4-[(3Z)-penta-1,3-dien-2-yl]morpholin-2-yl]methanol has a molecular weight of 183.25 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3Z)-penta-1,3-dien-2-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 139358738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).