4-(1-hydroxyprop-2-enylamino)dec-9-en-3-ol

C13H25NO2 — CID 142012128

IUPAC4-(1-hydroxyprop-2-enylamino)dec-9-en-3-ol
SMILESC=CCCCCC(NC(O)C=C)C(O)CC
InChIInChI=1S/C13H25NO2/c1-4-7-8-9-10-11(12(15)5-2)14-13(16)6-3/h4,6,11-16H,1,3,5,7-10H2,2H3
InChIKeyCWGLEHWJZGHOJL-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.97
Rot. Bonds10

About 4-(1-hydroxyprop-2-enylamino)dec-9-en-3-ol

4-(1-hydroxyprop-2-enylamino)dec-9-en-3-ol (PubChem CID 142012128) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-(1-hydroxyprop-2-enylamino)dec-9-en-3-ol.

Molecular Properties

Compound Name4-(1-hydroxyprop-2-enylamino)dec-9-en-3-ol
PubChem CID142012128
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4-(1-hydroxyprop-2-enylamino)dec-9-en-3-ol
SMILESC=CCCCCC(NC(O)C=C)C(O)CC
InChIInChI=1S/C13H25NO2/c1-4-7-8-9-10-11(12(15)5-2)14-13(16)6-3/h4,6,11-16H,1,3,5,7-10H2,2H3
InChIKeyCWGLEHWJZGHOJL-UHFFFAOYSA-N
XLogP1.97
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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7-Amino-1-(4-hydroxyhex-5-en-3-ylamino)-2-methyloctan-1-ol
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1-Piperidin-2-ylprop-2-en-1-ol
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(E,2S,3R)-2-(2-hydroxyhexacosylamino)octadec-4-ene-1,3-diol
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CID 156900184
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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyprop-2-enylamino)dec-9-en-3-ol?
The IUPAC name of 4-(1-hydroxyprop-2-enylamino)dec-9-en-3-ol (CID 142012128) is 4-(1-hydroxyprop-2-enylamino)dec-9-en-3-ol.
What is the SMILES notation for 4-(1-hydroxyprop-2-enylamino)dec-9-en-3-ol?
The canonical SMILES for 4-(1-hydroxyprop-2-enylamino)dec-9-en-3-ol is C=CCCCCC(NC(O)C=C)C(O)CC.
What is the InChIKey of 4-(1-hydroxyprop-2-enylamino)dec-9-en-3-ol?
The InChIKey is CWGLEHWJZGHOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-7-8-9-10-11(12(15)5-2)14-13(16)6-3/h4,6,11-16H,1,3,5,7-10H2,2H3.
What are the key properties of 4-(1-hydroxyprop-2-enylamino)dec-9-en-3-ol?
4-(1-hydroxyprop-2-enylamino)dec-9-en-3-ol has a molecular weight of 227.35 g/mol, XLogP of 1.97, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyprop-2-enylamino)dec-9-en-3-ol is sourced from PubChem (CID 142012128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).