(Z)-3-[4-(pent-4-enoylamino)phenyl]prop-2-enoic acid

C14H15NO3 — CID 129407556

IUPAC(Z)-3-[4-(pent-4-enoylamino)phenyl]prop-2-enoic acid
SMILESC=CCCC(=O)Nc1ccc(/C=C\C(=O)O)cc1
InChIInChI=1S/C14H15NO3/c1-2-3-4-13(16)15-12-8-5-11(6-9-12)7-10-14(17)18/h2,5-10H,1,3-4H2,(H,15,16)(H,17,18)/b10-7-
InChIKeyJAVVWZMMYFXTOP-YFHOEESVSA-N
MW245.28 g/mol
LogP2.69
Rot. Bonds6

About (Z)-3-[4-(pent-4-enoylamino)phenyl]prop-2-enoic acid

(Z)-3-[4-(pent-4-enoylamino)phenyl]prop-2-enoic acid (PubChem CID 129407556) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is (Z)-3-[4-(pent-4-enoylamino)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[4-(pent-4-enoylamino)phenyl]prop-2-enoic acid
PubChem CID129407556
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name(Z)-3-[4-(pent-4-enoylamino)phenyl]prop-2-enoic acid
SMILESC=CCCC(=O)Nc1ccc(/C=C\C(=O)O)cc1
InChIInChI=1S/C14H15NO3/c1-2-3-4-13(16)15-12-8-5-11(6-9-12)7-10-14(17)18/h2,5-10H,1,3-4H2,(H,15,16)(H,17,18)/b10-7-
InChIKeyJAVVWZMMYFXTOP-YFHOEESVSA-N
XLogP2.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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(E)-3-[4-[3-(2,2-difluoroethoxy)propanoylamino]phenyl]prop-2-enoic acid
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(E)-3-[4-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]prop-2-enoic acid
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N,N'-bis(4-ethenylphenyl)butanediamide
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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-(pent-4-enoylamino)phenyl]prop-2-enoic acid?
The IUPAC name of (Z)-3-[4-(pent-4-enoylamino)phenyl]prop-2-enoic acid (CID 129407556) is (Z)-3-[4-(pent-4-enoylamino)phenyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-3-[4-(pent-4-enoylamino)phenyl]prop-2-enoic acid?
The canonical SMILES for (Z)-3-[4-(pent-4-enoylamino)phenyl]prop-2-enoic acid is C=CCCC(=O)Nc1ccc(/C=C\C(=O)O)cc1.
What is the InChIKey of (Z)-3-[4-(pent-4-enoylamino)phenyl]prop-2-enoic acid?
The InChIKey is JAVVWZMMYFXTOP-YFHOEESVSA-N. The full InChI is InChI=1S/C14H15NO3/c1-2-3-4-13(16)15-12-8-5-11(6-9-12)7-10-14(17)18/h2,5-10H,1,3-4H2,(H,15,16)(H,17,18)/b10-7-.
What are the key properties of (Z)-3-[4-(pent-4-enoylamino)phenyl]prop-2-enoic acid?
(Z)-3-[4-(pent-4-enoylamino)phenyl]prop-2-enoic acid has a molecular weight of 245.28 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-(pent-4-enoylamino)phenyl]prop-2-enoic acid is sourced from PubChem (CID 129407556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).