5-(N-hydroxy-C-methylcarbonimidoyl)adamantan-2-ol

C12H19NO2 — CID 131846461

IUPAC5-(N-hydroxy-C-methylcarbonimidoyl)adamantan-2-ol
SMILESCC(=NO)C12CC3CC(C1)C(O)C(C3)C2
InChIInChI=1S/C12H19NO2/c1-7(13-15)12-4-8-2-9(5-12)11(14)10(3-8)6-12/h8-11,14-15H,2-6H2,1H3
InChIKeyOTQJNTMCUMWFMG-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.02
Rot. Bonds1

About 5-(N-hydroxy-C-methylcarbonimidoyl)adamantan-2-ol

5-(N-hydroxy-C-methylcarbonimidoyl)adamantan-2-ol (PubChem CID 131846461) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-(N-hydroxy-C-methylcarbonimidoyl)adamantan-2-ol.

Molecular Properties

Compound Name5-(N-hydroxy-C-methylcarbonimidoyl)adamantan-2-ol
PubChem CID131846461
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name5-(N-hydroxy-C-methylcarbonimidoyl)adamantan-2-ol
SMILESCC(=NO)C12CC3CC(C1)C(O)C(C3)C2
InChIInChI=1S/C12H19NO2/c1-7(13-15)12-4-8-2-9(5-12)11(14)10(3-8)6-12/h8-11,14-15H,2-6H2,1H3
InChIKeyOTQJNTMCUMWFMG-UHFFFAOYSA-N
XLogP2.02
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-hydroxy-1-adamantyl)ethanone
CID 14147100
5-(1-methoxyethenyl)adamantan-2-ol
CID 118457316
3-[(E)-N-hydroxy-C-methylcarbonimidoyl]adamantan-1-ol
CID 13402898
5-(1-adamantyl)adamantan-2-ol
CID 68898703
5-bromoadamantan-2-ol
CID 12660030
5-chloroadamantan-2-ol
CID 12660028
N-(4-hydroxy-1-adamantyl)acetamide
CID 14948121
1-chloro-5-methyltricyclo[4.3.1.13,8]undecan-4-ol
CID 58192702
N'-hydroxyadamantane-1-carboximidamide
CID 6019767
5-[(R)-hydroxy(iodo)methyl]adamantan-2-ol
CID 122499288
5-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-2-ol
CID 131845796
5-(2-aminopropyl)adamantan-2-ol
CID 516159

Frequently Asked Questions

What is the IUPAC name of 5-(N-hydroxy-C-methylcarbonimidoyl)adamantan-2-ol?
The IUPAC name of 5-(N-hydroxy-C-methylcarbonimidoyl)adamantan-2-ol (CID 131846461) is 5-(N-hydroxy-C-methylcarbonimidoyl)adamantan-2-ol.
What is the SMILES notation for 5-(N-hydroxy-C-methylcarbonimidoyl)adamantan-2-ol?
The canonical SMILES for 5-(N-hydroxy-C-methylcarbonimidoyl)adamantan-2-ol is CC(=NO)C12CC3CC(C1)C(O)C(C3)C2.
What is the InChIKey of 5-(N-hydroxy-C-methylcarbonimidoyl)adamantan-2-ol?
The InChIKey is OTQJNTMCUMWFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-7(13-15)12-4-8-2-9(5-12)11(14)10(3-8)6-12/h8-11,14-15H,2-6H2,1H3.
What are the key properties of 5-(N-hydroxy-C-methylcarbonimidoyl)adamantan-2-ol?
5-(N-hydroxy-C-methylcarbonimidoyl)adamantan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-hydroxy-C-methylcarbonimidoyl)adamantan-2-ol is sourced from PubChem (CID 131846461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).