6-pyridin-4-ylhex-2-enoic acid

C11H13NO2 — CID 54082671

IUPAC6-pyridin-4-ylhex-2-enoic acid
SMILESO=C(O)C=CCCCc1ccncc1
InChIInChI=1S/C11H13NO2/c13-11(14)5-3-1-2-4-10-6-8-12-9-7-10/h3,5-9H,1-2,4H2,(H,13,14)
InChIKeyMOFCAUVFRMCXJQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.05
Rot. Bonds5

About 6-pyridin-4-ylhex-2-enoic acid

6-pyridin-4-ylhex-2-enoic acid (PubChem CID 54082671) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 6-pyridin-4-ylhex-2-enoic acid.

Molecular Properties

Compound Name6-pyridin-4-ylhex-2-enoic acid
PubChem CID54082671
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name6-pyridin-4-ylhex-2-enoic acid
SMILESO=C(O)C=CCCCc1ccncc1
InChIInChI=1S/C11H13NO2/c13-11(14)5-3-1-2-4-10-6-8-12-9-7-10/h3,5-9H,1-2,4H2,(H,13,14)
InChIKeyMOFCAUVFRMCXJQ-UHFFFAOYSA-N
XLogP2.05
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(8-pyridin-4-yloct-4-enyl)pyridine
CID 67224624
(E)-3-[4-(2-pyridin-4-ylethyl)phenyl]prop-2-enoic acid
CID 21254775
(E)-3-(2-pyridin-4-ylethylamino)prop-2-enoic acid
CID 103239978
6-pyridin-4-ylhexanoic acid
CID 12904562
(E)-hex-2-enoic acid;pyridine-4-carboxamide
CID 139145861
5-pyridin-4-ylpentyl prop-2-enoate
CID 122214790
4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
CID 161134187
4-pyridin-4-ylbutanethioic S-acid
CID 87873315
acetic acid;3-pyridin-4-ylpropanoic acid
CID 71346900
4-nonadec-10-enylpyridine
CID 71356376
(E)-pent-2-enedioic acid;4-[(E)-2-pyridin-4-ylethenyl]pyridine
CID 139145943
6-phenyl-1-pyridin-4-ylhexan-3-one
CID 105093114

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-ylhex-2-enoic acid?
The IUPAC name of 6-pyridin-4-ylhex-2-enoic acid (CID 54082671) is 6-pyridin-4-ylhex-2-enoic acid.
What is the SMILES notation for 6-pyridin-4-ylhex-2-enoic acid?
The canonical SMILES for 6-pyridin-4-ylhex-2-enoic acid is O=C(O)C=CCCCc1ccncc1.
What is the InChIKey of 6-pyridin-4-ylhex-2-enoic acid?
The InChIKey is MOFCAUVFRMCXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-11(14)5-3-1-2-4-10-6-8-12-9-7-10/h3,5-9H,1-2,4H2,(H,13,14).
What are the key properties of 6-pyridin-4-ylhex-2-enoic acid?
6-pyridin-4-ylhex-2-enoic acid has a molecular weight of 191.23 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-ylhex-2-enoic acid is sourced from PubChem (CID 54082671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).