(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl) nitrite

C11H19NO2 — CID 170132643

IUPAC(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl) nitrite
SMILESCC1CC2CC(C)CC(ON=O)(C1)C2
InChIInChI=1S/C11H19NO2/c1-8-3-10-4-9(2)6-11(5-8,7-10)14-12-13/h8-10H,3-7H2,1-2H3
InChIKeyDIGDLVUGKMXXAP-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.29
Rot. Bonds2

About (3,7-dimethyl-1-bicyclo[3.3.1]nonanyl) nitrite

(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl) nitrite (PubChem CID 170132643) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (3,7-dimethyl-1-bicyclo[3.3.1]nonanyl) nitrite.

Molecular Properties

Compound Name(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl) nitrite
PubChem CID170132643
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl) nitrite
SMILESCC1CC2CC(C)CC(ON=O)(C1)C2
InChIInChI=1S/C11H19NO2/c1-8-3-10-4-9(2)6-11(5-8,7-10)14-12-13/h8-10H,3-7H2,1-2H3
InChIKeyDIGDLVUGKMXXAP-UHFFFAOYSA-N
XLogP3.29
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-adamantyloxyimino)-3-oxobutanoic acid
CID 56607949
1-fluoro-3,7-dimethylbicyclo[3.3.1]nonane
CID 170122585
1-methoxyadamantane
CID 584854
(3-hydroxy-7-methyl-1-bicyclo[3.3.1]nonanyl) 2,4,4-trimethyl-2-propan-2-ylpentanoate
CID 70972020
3-methylbicyclo[3.1.1]heptan-1-ol
CID 67034776
(3-hydroxy-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl) 2,2-dimethylbutanoate
CID 144690921
2-[2-[2-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 163608342
1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)ethanamine
CID 123905764
(5R)-3-methyl-7-nitrosobicyclo[3.3.1]nonane
CID 123586530
sodium;1-adamantyl acetate;hydride
CID 174617949
1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-methylmethanamine
CID 142169685
3-methylbicyclo[3.3.1]nonane-1-carbaldehyde
CID 123691668

Frequently Asked Questions

What is the IUPAC name of (3,7-dimethyl-1-bicyclo[3.3.1]nonanyl) nitrite?
The IUPAC name of (3,7-dimethyl-1-bicyclo[3.3.1]nonanyl) nitrite (CID 170132643) is (3,7-dimethyl-1-bicyclo[3.3.1]nonanyl) nitrite.
What is the SMILES notation for (3,7-dimethyl-1-bicyclo[3.3.1]nonanyl) nitrite?
The canonical SMILES for (3,7-dimethyl-1-bicyclo[3.3.1]nonanyl) nitrite is CC1CC2CC(C)CC(ON=O)(C1)C2.
What is the InChIKey of (3,7-dimethyl-1-bicyclo[3.3.1]nonanyl) nitrite?
The InChIKey is DIGDLVUGKMXXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8-3-10-4-9(2)6-11(5-8,7-10)14-12-13/h8-10H,3-7H2,1-2H3.
What are the key properties of (3,7-dimethyl-1-bicyclo[3.3.1]nonanyl) nitrite?
(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl) nitrite has a molecular weight of 197.28 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,7-dimethyl-1-bicyclo[3.3.1]nonanyl) nitrite is sourced from PubChem (CID 170132643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).