2-[(1S,5R)-1,5-dimethyl-3-bicyclo[3.2.0]heptanyl]acetonitrile

C11H17N — CID 89088517

IUPAC2-[(1S,5R)-1,5-dimethyl-3-bicyclo[3.2.0]heptanyl]acetonitrile
SMILESC[C@@]12CC[C@]1(C)CC(CC#N)C2
InChIInChI=1S/C11H17N/c1-10-4-5-11(10,2)8-9(7-10)3-6-12/h9H,3-5,7-8H2,1-2H3/t9?,10-,11+
InChIKeyOGEIOQYZKKQBHM-FGWVZKOKSA-N
MW163.26 g/mol
LogP3.12
Rot. Bonds1

About 2-[(1S,5R)-1,5-dimethyl-3-bicyclo[3.2.0]heptanyl]acetonitrile

2-[(1S,5R)-1,5-dimethyl-3-bicyclo[3.2.0]heptanyl]acetonitrile (PubChem CID 89088517) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-[(1S,5R)-1,5-dimethyl-3-bicyclo[3.2.0]heptanyl]acetonitrile.

Molecular Properties

Compound Name2-[(1S,5R)-1,5-dimethyl-3-bicyclo[3.2.0]heptanyl]acetonitrile
PubChem CID89088517
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2-[(1S,5R)-1,5-dimethyl-3-bicyclo[3.2.0]heptanyl]acetonitrile
SMILESC[C@@]12CC[C@]1(C)CC(CC#N)C2
InChIInChI=1S/C11H17N/c1-10-4-5-11(10,2)8-9(7-10)3-6-12/h9H,3-5,7-8H2,1-2H3/t9?,10-,11+
InChIKeyOGEIOQYZKKQBHM-FGWVZKOKSA-N
XLogP3.12
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R)-1,5-dimethyl-3-bicyclo[3.2.0]heptanyl]acetonitrile?
The IUPAC name of 2-[(1S,5R)-1,5-dimethyl-3-bicyclo[3.2.0]heptanyl]acetonitrile (CID 89088517) is 2-[(1S,5R)-1,5-dimethyl-3-bicyclo[3.2.0]heptanyl]acetonitrile.
What is the SMILES notation for 2-[(1S,5R)-1,5-dimethyl-3-bicyclo[3.2.0]heptanyl]acetonitrile?
The canonical SMILES for 2-[(1S,5R)-1,5-dimethyl-3-bicyclo[3.2.0]heptanyl]acetonitrile is C[C@@]12CC[C@]1(C)CC(CC#N)C2.
What is the InChIKey of 2-[(1S,5R)-1,5-dimethyl-3-bicyclo[3.2.0]heptanyl]acetonitrile?
The InChIKey is OGEIOQYZKKQBHM-FGWVZKOKSA-N. The full InChI is InChI=1S/C11H17N/c1-10-4-5-11(10,2)8-9(7-10)3-6-12/h9H,3-5,7-8H2,1-2H3/t9?,10-,11+.
What are the key properties of 2-[(1S,5R)-1,5-dimethyl-3-bicyclo[3.2.0]heptanyl]acetonitrile?
2-[(1S,5R)-1,5-dimethyl-3-bicyclo[3.2.0]heptanyl]acetonitrile has a molecular weight of 163.26 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5R)-1,5-dimethyl-3-bicyclo[3.2.0]heptanyl]acetonitrile is sourced from PubChem (CID 89088517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).