4-(4-cyanophenyl)pent-4-enoic acid

C12H11NO2 — CID 102579433

IUPAC4-(4-cyanophenyl)pent-4-enoic acid
SMILESC=C(CCC(=O)O)c1ccc(C#N)cc1
InChIInChI=1S/C12H11NO2/c1-9(2-7-12(14)15)11-5-3-10(8-13)4-6-11/h3-6H,1-2,7H2,(H,14,15)
InChIKeyMODQFUDVUOGXDO-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.44
Rot. Bonds4

About 4-(4-cyanophenyl)pent-4-enoic acid

4-(4-cyanophenyl)pent-4-enoic acid (PubChem CID 102579433) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-(4-cyanophenyl)pent-4-enoic acid.

Molecular Properties

Compound Name4-(4-cyanophenyl)pent-4-enoic acid
PubChem CID102579433
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name4-(4-cyanophenyl)pent-4-enoic acid
SMILESC=C(CCC(=O)O)c1ccc(C#N)cc1
InChIInChI=1S/C12H11NO2/c1-9(2-7-12(14)15)11-5-3-10(8-13)4-6-11/h3-6H,1-2,7H2,(H,14,15)
InChIKeyMODQFUDVUOGXDO-UHFFFAOYSA-N
XLogP2.44
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-(4-cyanophenyl)hexa-1,5-dien-2-yl]benzonitrile
CID 122403774
4-(3-bromoprop-1-en-2-yl)benzonitrile
CID 130210199
4-[12-(4-cyanophenyl)-12-oxododecanoyl]benzonitrile
CID 143092432
3-(4-cyanophenyl)propanoic acid;ethane
CID 143422626
5-(4-cyanophenyl)-4-methyl-5-sulfanylidenepentanoic acid
CID 175474411
3-[(4-cyanobenzoyl)-ethylamino]propanoic acid
CID 54899068
4-(2-phenylprop-2-enoyl)benzonitrile
CID 66619390
4-(1-phenylethenyl)benzonitrile
CID 11977035
4-[4-(4-cyanophenyl)phenyl]benzoic acid
CID 102170624
benzonitrile;butanoic acid
CID 67781984
5-(4-cyanophenoxy)pentanoic acid
CID 18767503
3-[4-(4-cyanobenzoyl)piperazin-1-yl]propanoic acid
CID 43522193

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)pent-4-enoic acid?
The IUPAC name of 4-(4-cyanophenyl)pent-4-enoic acid (CID 102579433) is 4-(4-cyanophenyl)pent-4-enoic acid.
What is the SMILES notation for 4-(4-cyanophenyl)pent-4-enoic acid?
The canonical SMILES for 4-(4-cyanophenyl)pent-4-enoic acid is C=C(CCC(=O)O)c1ccc(C#N)cc1.
What is the InChIKey of 4-(4-cyanophenyl)pent-4-enoic acid?
The InChIKey is MODQFUDVUOGXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-9(2-7-12(14)15)11-5-3-10(8-13)4-6-11/h3-6H,1-2,7H2,(H,14,15).
What are the key properties of 4-(4-cyanophenyl)pent-4-enoic acid?
4-(4-cyanophenyl)pent-4-enoic acid has a molecular weight of 201.22 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)pent-4-enoic acid is sourced from PubChem (CID 102579433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).