[4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]morpholin-3-yl]methanol

C13H22N2O2 — CID 144552538

IUPAC[4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]morpholin-3-yl]methanol
SMILESC=C/C=C(CN1CCOCC1CO)\C(N)=C/C
InChIInChI=1S/C13H22N2O2/c1-3-5-11(13(14)4-2)8-15-6-7-17-10-12(15)9-16/h3-5,12,16H,1,6-10,14H2,2H3/b11-5-,13-4+
InChIKeyGWVOGUOENNCNJH-XVJKMRDASA-N
MW238.33 g/mol
LogP0.65
Rot. Bonds5

About [4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]morpholin-3-yl]methanol

[4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]morpholin-3-yl]methanol (PubChem CID 144552538) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is [4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]morpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]morpholin-3-yl]methanol
PubChem CID144552538
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name[4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]morpholin-3-yl]methanol
SMILESC=C/C=C(CN1CCOCC1CO)\C(N)=C/C
InChIInChI=1S/C13H22N2O2/c1-3-5-11(13(14)4-2)8-15-6-7-17-10-12(15)9-16/h3-5,12,16H,1,6-10,14H2,2H3/b11-5-,13-4+
InChIKeyGWVOGUOENNCNJH-XVJKMRDASA-N
XLogP0.65
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]morpholin-3-yl]methanol with MolForge

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Related Compounds

2-[3-(hydroxymethyl)morpholin-4-yl]ethanol
CID 83815724
[4-(sulfanylmethyl)morpholin-3-yl]methanol
CID 139499999
[4-[2-(methylamino)ethyl]morpholin-3-yl]methanol
CID 83816538
2-[3-(hydroxymethyl)morpholin-4-yl]acetonitrile
CID 83815490
prop-2-enyl 3-(hydroxymethyl)morpholine-4-carboxylate
CID 19915005
[(3S)-4-methylmorpholin-3-yl]methanol
CID 58666450
6-[3-(hydroxymethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile
CID 106710137
3-(hydroxymethyl)morpholine-4-carbaldehyde
CID 87595725
4-(2-bromoprop-2-enyl)-3-ethylmorpholine
CID 130927364
ethyl 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidine-4-carboxylate
CID 89450106
4-[[3-(hydroxymethyl)morpholin-4-yl]methyl]-3-methylbenzenecarbothioamide
CID 114482048
[4-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)morpholin-3-yl]methanol
CID 83821157

Frequently Asked Questions

What is the IUPAC name of [4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]morpholin-3-yl]methanol?
The IUPAC name of [4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]morpholin-3-yl]methanol (CID 144552538) is [4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]morpholin-3-yl]methanol.
What is the SMILES notation for [4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]morpholin-3-yl]methanol?
The canonical SMILES for [4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]morpholin-3-yl]methanol is C=C/C=C(CN1CCOCC1CO)\C(N)=C/C.
What is the InChIKey of [4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]morpholin-3-yl]methanol?
The InChIKey is GWVOGUOENNCNJH-XVJKMRDASA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-5-11(13(14)4-2)8-15-6-7-17-10-12(15)9-16/h3-5,12,16H,1,6-10,14H2,2H3/b11-5-,13-4+.
What are the key properties of [4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]morpholin-3-yl]methanol?
[4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]morpholin-3-yl]methanol has a molecular weight of 238.33 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]morpholin-3-yl]methanol is sourced from PubChem (CID 144552538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).