7-tert-butyltricyclo[5.2.1.03,9]decane-5-carbonitrile

C15H23N — CID 70990908

IUPAC7-tert-butyltricyclo[5.2.1.03,9]decane-5-carbonitrile
SMILESCC(C)(C)C12CC(C#N)CC3CC(C1)C3C2
InChIInChI=1S/C15H23N/c1-14(2,3)15-6-10(9-16)4-11-5-12(7-15)13(11)8-15/h10-13H,4-8H2,1-3H3
InChIKeySDDOXTHGJZJUMH-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.00
Rot. Bonds

About 7-tert-butyltricyclo[5.2.1.03,9]decane-5-carbonitrile

7-tert-butyltricyclo[5.2.1.03,9]decane-5-carbonitrile (PubChem CID 70990908) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 7-tert-butyltricyclo[5.2.1.03,9]decane-5-carbonitrile.

Molecular Properties

Compound Name7-tert-butyltricyclo[5.2.1.03,9]decane-5-carbonitrile
PubChem CID70990908
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name7-tert-butyltricyclo[5.2.1.03,9]decane-5-carbonitrile
SMILESCC(C)(C)C12CC(C#N)CC3CC(C1)C3C2
InChIInChI=1S/C15H23N/c1-14(2,3)15-6-10(9-16)4-11-5-12(7-15)13(11)8-15/h10-13H,4-8H2,1-3H3
InChIKeySDDOXTHGJZJUMH-UHFFFAOYSA-N
XLogP4.00
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyltricyclo[5.2.1.03,9]decane-5-carbonitrile?
The IUPAC name of 7-tert-butyltricyclo[5.2.1.03,9]decane-5-carbonitrile (CID 70990908) is 7-tert-butyltricyclo[5.2.1.03,9]decane-5-carbonitrile.
What is the SMILES notation for 7-tert-butyltricyclo[5.2.1.03,9]decane-5-carbonitrile?
The canonical SMILES for 7-tert-butyltricyclo[5.2.1.03,9]decane-5-carbonitrile is CC(C)(C)C12CC(C#N)CC3CC(C1)C3C2.
What is the InChIKey of 7-tert-butyltricyclo[5.2.1.03,9]decane-5-carbonitrile?
The InChIKey is SDDOXTHGJZJUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-14(2,3)15-6-10(9-16)4-11-5-12(7-15)13(11)8-15/h10-13H,4-8H2,1-3H3.
What are the key properties of 7-tert-butyltricyclo[5.2.1.03,9]decane-5-carbonitrile?
7-tert-butyltricyclo[5.2.1.03,9]decane-5-carbonitrile has a molecular weight of 217.36 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyltricyclo[5.2.1.03,9]decane-5-carbonitrile is sourced from PubChem (CID 70990908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).