ethyl 2-cyano-5-phenylpentanoate

C14H17NO2 — CID 14921743

IUPACethyl 2-cyano-5-phenylpentanoate
SMILESCCOC(=O)C(C#N)CCCc1ccccc1
InChIInChI=1S/C14H17NO2/c1-2-17-14(16)13(11-15)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-10H2,1H3
InChIKeyKKTIFUZMNAQXPE-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.71
Rot. Bonds6

About ethyl 2-cyano-5-phenylpentanoate

ethyl 2-cyano-5-phenylpentanoate (PubChem CID 14921743) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is ethyl 2-cyano-5-phenylpentanoate.

Molecular Properties

Compound Nameethyl 2-cyano-5-phenylpentanoate
PubChem CID14921743
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Nameethyl 2-cyano-5-phenylpentanoate
SMILESCCOC(=O)C(C#N)CCCc1ccccc1
InChIInChI=1S/C14H17NO2/c1-2-17-14(16)13(11-15)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-10H2,1H3
InChIKeyKKTIFUZMNAQXPE-UHFFFAOYSA-N
XLogP2.71
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetyl-7-phenylheptanenitrile
CID 12826152
ethyl 2-acetyl-5-phenylpentanoate
CID 14921745
diethyl 2-(4-phenylbutyl)propanedioate
CID 10661321
5-cyano-6-ethoxy-6-oxohexanoic acid
CID 175412793
ethyl 2-cyano-4-pyridin-2-ylbutanoate
CID 14942477
ethyl 2-benzoyl-5-phenylpentanoate
CID 57081921
(2S)-2-ethoxycarbonyl-10-phenyldecanoic acid
CID 129394808
ethyl 5-phenyl-2-(2,2,2-trifluoroacetyl)pentanoate
CID 14435905
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848
butylbenzene;ethyl carbamate
CID 175305774
methyl 2-cyano-5-phenylmethoxypentanoate
CID 102226859
ethyl 2-cyano-5-phenylpent-4-enoate
CID 72737820

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-5-phenylpentanoate?
The IUPAC name of ethyl 2-cyano-5-phenylpentanoate (CID 14921743) is ethyl 2-cyano-5-phenylpentanoate.
What is the SMILES notation for ethyl 2-cyano-5-phenylpentanoate?
The canonical SMILES for ethyl 2-cyano-5-phenylpentanoate is CCOC(=O)C(C#N)CCCc1ccccc1.
What is the InChIKey of ethyl 2-cyano-5-phenylpentanoate?
The InChIKey is KKTIFUZMNAQXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-17-14(16)13(11-15)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-10H2,1H3.
What are the key properties of ethyl 2-cyano-5-phenylpentanoate?
ethyl 2-cyano-5-phenylpentanoate has a molecular weight of 231.30 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-5-phenylpentanoate is sourced from PubChem (CID 14921743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).