2-nitrosoadamantane

C10H15NO — CID 14225850

IUPAC2-nitrosoadamantane
SMILESO=NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C10H15NO/c12-11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2
InChIKeyNNPWCJCKHBRWGF-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.58
Rot. Bonds1

About 2-nitrosoadamantane

2-nitrosoadamantane (PubChem CID 14225850) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-nitrosoadamantane.

Molecular Properties

Compound Name2-nitrosoadamantane
PubChem CID14225850
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-nitrosoadamantane
SMILESO=NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C10H15NO/c12-11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2
InChIKeyNNPWCJCKHBRWGF-UHFFFAOYSA-N
XLogP2.58
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-nitrosoadamantane?
The IUPAC name of 2-nitrosoadamantane (CID 14225850) is 2-nitrosoadamantane.
What is the SMILES notation for 2-nitrosoadamantane?
The canonical SMILES for 2-nitrosoadamantane is O=NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-nitrosoadamantane?
The InChIKey is NNPWCJCKHBRWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c12-11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2.
What are the key properties of 2-nitrosoadamantane?
2-nitrosoadamantane has a molecular weight of 165.24 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitrosoadamantane is sourced from PubChem (CID 14225850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).