(3R)-3-cyclopentylbutanenitrile

C9H15N — CID 142587124

IUPAC(3R)-3-cyclopentylbutanenitrile
SMILESC[C@H](CC#N)C1CCCC1
InChIInChI=1S/C9H15N/c1-8(6-7-10)9-4-2-3-5-9/h8-9H,2-6H2,1H3/t8-/m1/s1
InChIKeySCEOQDPXUKSUSU-MRVPVSSYSA-N
MW137.23 g/mol
LogP2.73
Rot. Bonds2

About (3R)-3-cyclopentylbutanenitrile

(3R)-3-cyclopentylbutanenitrile (PubChem CID 142587124) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (3R)-3-cyclopentylbutanenitrile.

Molecular Properties

Compound Name(3R)-3-cyclopentylbutanenitrile
PubChem CID142587124
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(3R)-3-cyclopentylbutanenitrile
SMILESC[C@H](CC#N)C1CCCC1
InChIInChI=1S/C9H15N/c1-8(6-7-10)9-4-2-3-5-9/h8-9H,2-6H2,1H3/t8-/m1/s1
InChIKeySCEOQDPXUKSUSU-MRVPVSSYSA-N
XLogP2.73
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopentylbutanenitrile?
The IUPAC name of (3R)-3-cyclopentylbutanenitrile (CID 142587124) is (3R)-3-cyclopentylbutanenitrile.
What is the SMILES notation for (3R)-3-cyclopentylbutanenitrile?
The canonical SMILES for (3R)-3-cyclopentylbutanenitrile is C[C@H](CC#N)C1CCCC1.
What is the InChIKey of (3R)-3-cyclopentylbutanenitrile?
The InChIKey is SCEOQDPXUKSUSU-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15N/c1-8(6-7-10)9-4-2-3-5-9/h8-9H,2-6H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-3-cyclopentylbutanenitrile?
(3R)-3-cyclopentylbutanenitrile has a molecular weight of 137.23 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclopentylbutanenitrile is sourced from PubChem (CID 142587124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).