3-cyclopentylpentanenitrile;ethane

C12H23N — CID 155599188

IUPAC3-cyclopentylpentanenitrile;ethane
SMILESCC.CCC(CC#N)C1CCCC1
InChIInChI=1S/C10H17N.C2H6/c1-2-9(7-8-11)10-5-3-4-6-10;1-2/h9-10H,2-7H2,1H3;1-2H3
InChIKeyCZGRUONBQYSNSK-UHFFFAOYSA-N
MW181.32 g/mol
LogP4.14
Rot. Bonds3

About 3-cyclopentylpentanenitrile;ethane

3-cyclopentylpentanenitrile;ethane (PubChem CID 155599188) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-cyclopentylpentanenitrile;ethane.

Molecular Properties

Compound Name3-cyclopentylpentanenitrile;ethane
PubChem CID155599188
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-cyclopentylpentanenitrile;ethane
SMILESCC.CCC(CC#N)C1CCCC1
InChIInChI=1S/C10H17N.C2H6/c1-2-9(7-8-11)10-5-3-4-6-10;1-2/h9-10H,2-7H2,1H3;1-2H3
InChIKeyCZGRUONBQYSNSK-UHFFFAOYSA-N
XLogP4.14
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylpentanenitrile;ethane?
The IUPAC name of 3-cyclopentylpentanenitrile;ethane (CID 155599188) is 3-cyclopentylpentanenitrile;ethane.
What is the SMILES notation for 3-cyclopentylpentanenitrile;ethane?
The canonical SMILES for 3-cyclopentylpentanenitrile;ethane is CC.CCC(CC#N)C1CCCC1.
What is the InChIKey of 3-cyclopentylpentanenitrile;ethane?
The InChIKey is CZGRUONBQYSNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.C2H6/c1-2-9(7-8-11)10-5-3-4-6-10;1-2/h9-10H,2-7H2,1H3;1-2H3.
What are the key properties of 3-cyclopentylpentanenitrile;ethane?
3-cyclopentylpentanenitrile;ethane has a molecular weight of 181.32 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylpentanenitrile;ethane is sourced from PubChem (CID 155599188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).