(5R)-3-methyl-7-nitrosobicyclo[3.3.1]nonane

C10H17NO — CID 123586530

IUPAC(5R)-3-methyl-7-nitrosobicyclo[3.3.1]nonane
SMILESCC1CC2CC(N=O)C[C@H](C1)C2
InChIInChI=1S/C10H17NO/c1-7-2-8-4-9(3-7)6-10(5-8)11-12/h7-10H,2-6H2,1H3/t7?,8-,9?,10?/m1/s1
InChIKeyVRVFSRJIMJOTRT-FVKBGGDRSA-N
MW167.25 g/mol
LogP2.97
Rot. Bonds1

About (5R)-3-methyl-7-nitrosobicyclo[3.3.1]nonane

(5R)-3-methyl-7-nitrosobicyclo[3.3.1]nonane (PubChem CID 123586530) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (5R)-3-methyl-7-nitrosobicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(5R)-3-methyl-7-nitrosobicyclo[3.3.1]nonane
PubChem CID123586530
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(5R)-3-methyl-7-nitrosobicyclo[3.3.1]nonane
SMILESCC1CC2CC(N=O)C[C@H](C1)C2
InChIInChI=1S/C10H17NO/c1-7-2-8-4-9(3-7)6-10(5-8)11-12/h7-10H,2-6H2,1H3/t7?,8-,9?,10?/m1/s1
InChIKeyVRVFSRJIMJOTRT-FVKBGGDRSA-N
XLogP2.97
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-nitrosocyclobutane
CID 90685254
adamantane;ethane
CID 90892828
7-methylbicyclo[3.3.1]nonan-3-amine
CID 58358746
7-methylbicyclo[3.3.1]nonan-3-amine;hydrochloride
CID 67983743
adamantane;ethane;methane
CID 157076952
adamantane;N-methylmethanamine
CID 20975909
4,5-dinitrosotricyclo[4.3.1.13,8]undecane
CID 123541321
2-nitrosoadamantane
CID 14225850
pentacyclo[9.5.1.13,9.15,15.17,13]icosane
CID 86001136
3,7-dimethyl-3-borabicyclo[3.3.1]nonane
CID 12603029
ethane;2-methyladamantane
CID 90765849
(2R,4S,6R)-2,4-dimethyl-6-nitrosooxane;ethane
CID 143101250

Frequently Asked Questions

What is the IUPAC name of (5R)-3-methyl-7-nitrosobicyclo[3.3.1]nonane?
The IUPAC name of (5R)-3-methyl-7-nitrosobicyclo[3.3.1]nonane (CID 123586530) is (5R)-3-methyl-7-nitrosobicyclo[3.3.1]nonane.
What is the SMILES notation for (5R)-3-methyl-7-nitrosobicyclo[3.3.1]nonane?
The canonical SMILES for (5R)-3-methyl-7-nitrosobicyclo[3.3.1]nonane is CC1CC2CC(N=O)C[C@H](C1)C2.
What is the InChIKey of (5R)-3-methyl-7-nitrosobicyclo[3.3.1]nonane?
The InChIKey is VRVFSRJIMJOTRT-FVKBGGDRSA-N. The full InChI is InChI=1S/C10H17NO/c1-7-2-8-4-9(3-7)6-10(5-8)11-12/h7-10H,2-6H2,1H3/t7?,8-,9?,10?/m1/s1.
What are the key properties of (5R)-3-methyl-7-nitrosobicyclo[3.3.1]nonane?
(5R)-3-methyl-7-nitrosobicyclo[3.3.1]nonane has a molecular weight of 167.25 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-methyl-7-nitrosobicyclo[3.3.1]nonane is sourced from PubChem (CID 123586530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).