1-(1-adamantyl)-1-(hydroxyamino)prop-1-en-2-ol

C13H21NO2 — CID 5080913

IUPAC1-(1-adamantyl)-1-(hydroxyamino)prop-1-en-2-ol
SMILESCC(O)=C(NO)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21NO2/c1-8(15)12(14-16)13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11,14-16H,2-7H2,1H3
InChIKeyBZYMNGMZJASINQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.97
Rot. Bonds2

About 1-(1-adamantyl)-1-(hydroxyamino)prop-1-en-2-ol

1-(1-adamantyl)-1-(hydroxyamino)prop-1-en-2-ol (PubChem CID 5080913) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(1-adamantyl)-1-(hydroxyamino)prop-1-en-2-ol.

Molecular Properties

Compound Name1-(1-adamantyl)-1-(hydroxyamino)prop-1-en-2-ol
PubChem CID5080913
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(1-adamantyl)-1-(hydroxyamino)prop-1-en-2-ol
SMILESCC(O)=C(NO)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21NO2/c1-8(15)12(14-16)13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11,14-16H,2-7H2,1H3
InChIKeyBZYMNGMZJASINQ-UHFFFAOYSA-N
XLogP2.97
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

acetic acid;adamantane-1-carboxylic acid
CID 67530595
1-(1-adamantyl)ethylidenezirconium(2+)
CID 87775004
(2S)-2-(adamantane-1-carbonylamino)butanoic acid
CID 7128727
3-(1-adamantyl)-4-hydroxy-2-methylbut-2-enoic acid
CID 68549790
(Z)-1,3-bis(1-adamantyl)-3-hydroxy-2-methylprop-2-en-1-one
CID 156675738
1-[1-[1-(1-adamantyl)-2-methylprop-1-enoxy]-2-methylprop-1-enyl]adamantane
CID 68648636
adamantane-1-carboxylic acid;hydrobromide
CID 175234233
adamantane-1-carboxylic acid;cobalt
CID 174948331
1-(1-adamantyl)-2-methylprop-2-en-1-one
CID 67607526
bis(1-adamantyl)methanimine
CID 87876115
1-[1-(1-adamantyl)ethenyl]adamantane
CID 14316817
N-[(2S)-1-hydroxybutan-2-yl]adamantane-1-carboxamide
CID 40570555

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-1-(hydroxyamino)prop-1-en-2-ol?
The IUPAC name of 1-(1-adamantyl)-1-(hydroxyamino)prop-1-en-2-ol (CID 5080913) is 1-(1-adamantyl)-1-(hydroxyamino)prop-1-en-2-ol.
What is the SMILES notation for 1-(1-adamantyl)-1-(hydroxyamino)prop-1-en-2-ol?
The canonical SMILES for 1-(1-adamantyl)-1-(hydroxyamino)prop-1-en-2-ol is CC(O)=C(NO)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-1-(hydroxyamino)prop-1-en-2-ol?
The InChIKey is BZYMNGMZJASINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-8(15)12(14-16)13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11,14-16H,2-7H2,1H3.
What are the key properties of 1-(1-adamantyl)-1-(hydroxyamino)prop-1-en-2-ol?
1-(1-adamantyl)-1-(hydroxyamino)prop-1-en-2-ol has a molecular weight of 223.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-1-(hydroxyamino)prop-1-en-2-ol is sourced from PubChem (CID 5080913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).