2-(6-tricyclo[3.2.1.02,4]octanyl)acetonitrile

C10H13N — CID 165452248

IUPAC2-(6-tricyclo[3.2.1.02,4]octanyl)acetonitrile
SMILESN#CCC1CC2CC1C1CC21
InChIInChI=1S/C10H13N/c11-2-1-6-3-7-4-8(6)10-5-9(7)10/h6-10H,1,3-5H2
InChIKeyUNCFZYRJECEUCY-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.19
Rot. Bonds1

About 2-(6-tricyclo[3.2.1.02,4]octanyl)acetonitrile

2-(6-tricyclo[3.2.1.02,4]octanyl)acetonitrile (PubChem CID 165452248) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-(6-tricyclo[3.2.1.02,4]octanyl)acetonitrile.

Molecular Properties

Compound Name2-(6-tricyclo[3.2.1.02,4]octanyl)acetonitrile
PubChem CID165452248
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name2-(6-tricyclo[3.2.1.02,4]octanyl)acetonitrile
SMILESN#CCC1CC2CC1C1CC21
InChIInChI=1S/C10H13N/c11-2-1-6-3-7-4-8(6)10-5-9(7)10/h6-10H,1,3-5H2
InChIKeyUNCFZYRJECEUCY-UHFFFAOYSA-N
XLogP2.19
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6-tricyclo[3.2.1.02,4]octanyl)acetonitrile?
The IUPAC name of 2-(6-tricyclo[3.2.1.02,4]octanyl)acetonitrile (CID 165452248) is 2-(6-tricyclo[3.2.1.02,4]octanyl)acetonitrile.
What is the SMILES notation for 2-(6-tricyclo[3.2.1.02,4]octanyl)acetonitrile?
The canonical SMILES for 2-(6-tricyclo[3.2.1.02,4]octanyl)acetonitrile is N#CCC1CC2CC1C1CC21.
What is the InChIKey of 2-(6-tricyclo[3.2.1.02,4]octanyl)acetonitrile?
The InChIKey is UNCFZYRJECEUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c11-2-1-6-3-7-4-8(6)10-5-9(7)10/h6-10H,1,3-5H2.
What are the key properties of 2-(6-tricyclo[3.2.1.02,4]octanyl)acetonitrile?
2-(6-tricyclo[3.2.1.02,4]octanyl)acetonitrile has a molecular weight of 147.22 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tricyclo[3.2.1.02,4]octanyl)acetonitrile is sourced from PubChem (CID 165452248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).