(4R)-2-ethyl-4-phenylpentanenitrile

C13H17N — CID 58510500

IUPAC(4R)-2-ethyl-4-phenylpentanenitrile
SMILESCCC(C#N)C[C@@H](C)c1ccccc1
InChIInChI=1S/C13H17N/c1-3-12(10-14)9-11(2)13-7-5-4-6-8-13/h4-8,11-12H,3,9H2,1-2H3/t11-,12?/m1/s1
InChIKeySOOCRPZURRNBIQ-JHJMLUEUSA-N
MW187.29 g/mol
LogP3.73
Rot. Bonds4

About (4R)-2-ethyl-4-phenylpentanenitrile

(4R)-2-ethyl-4-phenylpentanenitrile (PubChem CID 58510500) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (4R)-2-ethyl-4-phenylpentanenitrile.

Molecular Properties

Compound Name(4R)-2-ethyl-4-phenylpentanenitrile
PubChem CID58510500
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(4R)-2-ethyl-4-phenylpentanenitrile
SMILESCCC(C#N)C[C@@H](C)c1ccccc1
InChIInChI=1S/C13H17N/c1-3-12(10-14)9-11(2)13-7-5-4-6-8-13/h4-8,11-12H,3,9H2,1-2H3/t11-,12?/m1/s1
InChIKeySOOCRPZURRNBIQ-JHJMLUEUSA-N
XLogP3.73
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4R)-2-ethyl-4-phenylpentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-ethyl-8-phenylnon-4-enenitrile;methane
CID 160671752
[6-ethyl-4-(2-ethylbutyl)octan-2-yl]benzene
CID 22960269
ethane;2-phenylpropanenitrile
CID 91366777
ethane;2-phenylbutanenitrile
CID 91343198
[(4S)-4-methoxyhexan-2-yl]benzene
CID 166439539
3-phenylbutane-1,1-diol
CID 18417931
(2R,4S)-4-phenyl-2-pyridin-3-ylpentanenitrile
CID 129364962
4-methylheptan-2-ylbenzene
CID 21055597
1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene
CID 23386381
2,5-dimethyl-4-phenylhexanenitrile
CID 153467297
2-[(4-butan-2-yl-N-methylanilino)methyl]butanenitrile
CID 115253627
pentan-2-ylbenzene
CID 17627

Frequently Asked Questions

What is the IUPAC name of (4R)-2-ethyl-4-phenylpentanenitrile?
The IUPAC name of (4R)-2-ethyl-4-phenylpentanenitrile (CID 58510500) is (4R)-2-ethyl-4-phenylpentanenitrile.
What is the SMILES notation for (4R)-2-ethyl-4-phenylpentanenitrile?
The canonical SMILES for (4R)-2-ethyl-4-phenylpentanenitrile is CCC(C#N)C[C@@H](C)c1ccccc1.
What is the InChIKey of (4R)-2-ethyl-4-phenylpentanenitrile?
The InChIKey is SOOCRPZURRNBIQ-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H17N/c1-3-12(10-14)9-11(2)13-7-5-4-6-8-13/h4-8,11-12H,3,9H2,1-2H3/t11-,12?/m1/s1.
What are the key properties of (4R)-2-ethyl-4-phenylpentanenitrile?
(4R)-2-ethyl-4-phenylpentanenitrile has a molecular weight of 187.29 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-ethyl-4-phenylpentanenitrile is sourced from PubChem (CID 58510500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).