(8R)-3-(methylamino)bicyclo[6.1.0]nonan-2-one

C10H17NO — CID 142060892

IUPAC(8R)-3-(methylamino)bicyclo[6.1.0]nonan-2-one
SMILESCNC1CCCC[C@@H]2CC2C1=O
InChIInChI=1S/C10H17NO/c1-11-9-5-3-2-4-7-6-8(7)10(9)12/h7-9,11H,2-6H2,1H3/t7-,8?,9?/m1/s1
InChIKeyOPBJLBBMEBITAG-AFPNSQJFSA-N
MW167.25 g/mol
LogP1.35
Rot. Bonds1

About (8R)-3-(methylamino)bicyclo[6.1.0]nonan-2-one

(8R)-3-(methylamino)bicyclo[6.1.0]nonan-2-one (PubChem CID 142060892) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (8R)-3-(methylamino)bicyclo[6.1.0]nonan-2-one.

Molecular Properties

Compound Name(8R)-3-(methylamino)bicyclo[6.1.0]nonan-2-one
PubChem CID142060892
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(8R)-3-(methylamino)bicyclo[6.1.0]nonan-2-one
SMILESCNC1CCCC[C@@H]2CC2C1=O
InChIInChI=1S/C10H17NO/c1-11-9-5-3-2-4-7-6-8(7)10(9)12/h7-9,11H,2-6H2,1H3/t7-,8?,9?/m1/s1
InChIKeyOPBJLBBMEBITAG-AFPNSQJFSA-N
XLogP1.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8R)-3-(methylamino)bicyclo[6.1.0]nonan-2-one?
The IUPAC name of (8R)-3-(methylamino)bicyclo[6.1.0]nonan-2-one (CID 142060892) is (8R)-3-(methylamino)bicyclo[6.1.0]nonan-2-one.
What is the SMILES notation for (8R)-3-(methylamino)bicyclo[6.1.0]nonan-2-one?
The canonical SMILES for (8R)-3-(methylamino)bicyclo[6.1.0]nonan-2-one is CNC1CCCC[C@@H]2CC2C1=O.
What is the InChIKey of (8R)-3-(methylamino)bicyclo[6.1.0]nonan-2-one?
The InChIKey is OPBJLBBMEBITAG-AFPNSQJFSA-N. The full InChI is InChI=1S/C10H17NO/c1-11-9-5-3-2-4-7-6-8(7)10(9)12/h7-9,11H,2-6H2,1H3/t7-,8?,9?/m1/s1.
What are the key properties of (8R)-3-(methylamino)bicyclo[6.1.0]nonan-2-one?
(8R)-3-(methylamino)bicyclo[6.1.0]nonan-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-3-(methylamino)bicyclo[6.1.0]nonan-2-one is sourced from PubChem (CID 142060892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).