1-nitroso-2-azatricyclo[3.3.1.13,7]decane

C9H14N2O — CID 118643342

IUPAC1-nitroso-2-azatricyclo[3.3.1.13,7]decane
SMILESO=NC12CC3CC(CC(C3)N1)C2
InChIInChI=1S/C9H14N2O/c12-11-9-4-6-1-7(5-9)3-8(2-6)10-9/h6-8,10H,1-5H2
InChIKeyMSNLQUDFJPCVFH-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.63
Rot. Bonds1

About 1-nitroso-2-azatricyclo[3.3.1.13,7]decane

1-nitroso-2-azatricyclo[3.3.1.13,7]decane (PubChem CID 118643342) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-nitroso-2-azatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name1-nitroso-2-azatricyclo[3.3.1.13,7]decane
PubChem CID118643342
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-nitroso-2-azatricyclo[3.3.1.13,7]decane
SMILESO=NC12CC3CC(CC(C3)N1)C2
InChIInChI=1S/C9H14N2O/c12-11-9-4-6-1-7(5-9)3-8(2-6)10-9/h6-8,10H,1-5H2
InChIKeyMSNLQUDFJPCVFH-UHFFFAOYSA-N
XLogP1.63
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-iodo-2-azatricyclo[3.3.1.13,7]decan-1-amine;dihydrochloride
CID 87743947
(1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol
CID 175729322
adamantane;1-methyladamantane
CID 53425859
5-tert-butyl-2-azatricyclo[3.3.1.13,7]decane
CID 170386418
2-azatricyclo[3.3.1.13,7]decane;carbamic acid
CID 66771606
(1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol;2,2,2-trifluoroacetic acid
CID 175729321
N,N-dideuterioadamantan-1-amine
CID 102600925
1-(18O)nitrosoadamantane
CID 10080757
1,3-dimethyladamantane;1-methyladamantane;1,3,5,7-tetramethyladamantane;1,3,5-trimethyladamantane
CID 158375543
tetracyclo[3.3.1.11,3.13,7]undecane
CID 165155314
Adamantylsilicone
CID 18798576
tricyclo[3.3.1.03,7]nonane-3,7-diamine
CID 10855666

Frequently Asked Questions

What is the IUPAC name of 1-nitroso-2-azatricyclo[3.3.1.13,7]decane?
The IUPAC name of 1-nitroso-2-azatricyclo[3.3.1.13,7]decane (CID 118643342) is 1-nitroso-2-azatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 1-nitroso-2-azatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 1-nitroso-2-azatricyclo[3.3.1.13,7]decane is O=NC12CC3CC(CC(C3)N1)C2.
What is the InChIKey of 1-nitroso-2-azatricyclo[3.3.1.13,7]decane?
The InChIKey is MSNLQUDFJPCVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c12-11-9-4-6-1-7(5-9)3-8(2-6)10-9/h6-8,10H,1-5H2.
What are the key properties of 1-nitroso-2-azatricyclo[3.3.1.13,7]decane?
1-nitroso-2-azatricyclo[3.3.1.13,7]decane has a molecular weight of 166.22 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroso-2-azatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 118643342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).