(Z)-2-benzylpent-3-enoic acid

C12H14O2 — CID 67132273

IUPAC(Z)-2-benzylpent-3-enoic acid
SMILESC/C=C\C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H14O2/c1-2-6-11(12(13)14)9-10-7-4-3-5-8-10/h2-8,11H,9H2,1H3,(H,13,14)/b6-2-
InChIKeyDFXIZBYAFWVMDE-KXFIGUGUSA-N
MW190.24 g/mol
LogP2.51
Rot. Bonds4

About (Z)-2-benzylpent-3-enoic acid

(Z)-2-benzylpent-3-enoic acid (PubChem CID 67132273) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (Z)-2-benzylpent-3-enoic acid.

Molecular Properties

Compound Name(Z)-2-benzylpent-3-enoic acid
PubChem CID67132273
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(Z)-2-benzylpent-3-enoic acid
SMILESC/C=C\C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H14O2/c1-2-6-11(12(13)14)9-10-7-4-3-5-8-10/h2-8,11H,9H2,1H3,(H,13,14)/b6-2-
InChIKeyDFXIZBYAFWVMDE-KXFIGUGUSA-N
XLogP2.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-5-(2-methylpropyl)hex-3-enedioic acid
CID 77464052
2-benzylbut-3-enoic acid;hydrochloride
CID 67865734
(E)-1-phenylpent-3-en-2-ol
CID 15211245
(2S)-2-(but-2-enoylamino)-3-phenylpropanoic acid
CID 54470375
2-benzyl-3-sulfonylpropanoic acid;guanidine
CID 86751649
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
methyl (Z)-2-benzyl-4-phenylbut-3-enoate
CID 102009191
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
(2R)-3-phenyl-2-(phosphanylamino)propanoic acid
CID 70012014

Frequently Asked Questions

What is the IUPAC name of (Z)-2-benzylpent-3-enoic acid?
The IUPAC name of (Z)-2-benzylpent-3-enoic acid (CID 67132273) is (Z)-2-benzylpent-3-enoic acid.
What is the SMILES notation for (Z)-2-benzylpent-3-enoic acid?
The canonical SMILES for (Z)-2-benzylpent-3-enoic acid is C/C=C\C(Cc1ccccc1)C(=O)O.
What is the InChIKey of (Z)-2-benzylpent-3-enoic acid?
The InChIKey is DFXIZBYAFWVMDE-KXFIGUGUSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-6-11(12(13)14)9-10-7-4-3-5-8-10/h2-8,11H,9H2,1H3,(H,13,14)/b6-2-.
What are the key properties of (Z)-2-benzylpent-3-enoic acid?
(Z)-2-benzylpent-3-enoic acid has a molecular weight of 190.24 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-benzylpent-3-enoic acid is sourced from PubChem (CID 67132273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).