1-(18O)nitrosoadamantane

C10H15NO — CID 10080757

IUPAC1-(18O)nitrosoadamantane
SMILES[18O]=NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H15NO/c12-11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2/i12+2
InChIKeyNXYRRNWKCSMROR-HVRMQOCCSA-N
MW167.24 g/mol
LogP2.72
Rot. Bonds1

About 1-(18O)nitrosoadamantane

1-(18O)nitrosoadamantane (PubChem CID 10080757) has the molecular formula C10H15NO and a molecular weight of 167.24 g/mol. Its IUPAC name is 1-(18O)nitrosoadamantane.

Molecular Properties

Compound Name1-(18O)nitrosoadamantane
PubChem CID10080757
Molecular FormulaC10H15NO
Molecular Weight167.24 g/mol
Exact Mass167.12
IUPAC Name1-(18O)nitrosoadamantane
SMILES[18O]=NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H15NO/c12-11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2/i12+2
InChIKeyNXYRRNWKCSMROR-HVRMQOCCSA-N
XLogP2.72
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantyl)propan-1-imine
CID 5136240
1-N',4-N'-bis(1-adamantyl)cyclohexane-1,4-dicarboximidamide
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2-(1-adamantyl)-1-hydroxyguanidine
CID 62483921
methyl N'-(1-adamantyl)-N-aminocarbamimidothioate iodide
CID 45108729
methyl N'-(1-adamantyl)carbamimidothioate
CID 134112347
1,3-diisothiocyanatoadamantane
CID 46942271
2-(1-adamantylimino)-3-methyl-1,3-thiazole-4-carboxylic acid
CID 46863282
2-(1-adamantyl)-1,3-diphenylguanidine
CID 58030681
N-(1-adamantyl)-1-[7-(1-adamantyliminomethyl)-1,8-naphthyridin-2-yl]methanimine
CID 10906512
Adamantylsilicone
CID 18798576
N-(1-adamantyl)-1-pyridin-2-ylmethanimine
CID 585573
CID 89119542
CID 89119542

Frequently Asked Questions

What is the IUPAC name of 1-(18O)nitrosoadamantane?
The IUPAC name of 1-(18O)nitrosoadamantane (CID 10080757) is 1-(18O)nitrosoadamantane.
What is the SMILES notation for 1-(18O)nitrosoadamantane?
The canonical SMILES for 1-(18O)nitrosoadamantane is [18O]=NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(18O)nitrosoadamantane?
The InChIKey is NXYRRNWKCSMROR-HVRMQOCCSA-N. The full InChI is InChI=1S/C10H15NO/c12-11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2/i12+2.
What are the key properties of 1-(18O)nitrosoadamantane?
1-(18O)nitrosoadamantane has a molecular weight of 167.24 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(18O)nitrosoadamantane is sourced from PubChem (CID 10080757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).