(Z)-7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid

C19H25NO2 — CID 14860292

IUPAC(Z)-7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1c1cccnc1
InChIInChI=1S/C19H25NO2/c21-18(22)8-4-2-1-3-7-17-14-9-10-15(12-14)19(17)16-6-5-11-20-13-16/h1,3,5-6,11,13-15,17,19H,2,4,7-10,12H2,(H,21,22)/b3-1-/t14-,15+,17+,19+/m0/s1
InChIKeyUZUUXEYJDKQWLL-KWOCMJOKSA-N
MW299.41 g/mol
LogP4.41
Rot. Bonds7

About (Z)-7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid

(Z)-7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid (PubChem CID 14860292) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (Z)-7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
PubChem CID14860292
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(Z)-7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1c1cccnc1
InChIInChI=1S/C19H25NO2/c21-18(22)8-4-2-1-3-7-17-14-9-10-15(12-14)19(17)16-6-5-11-20-13-16/h1,3,5-6,11,13-15,17,19H,2,4,7-10,12H2,(H,21,22)/b3-1-/t14-,15+,17+,19+/m0/s1
InChIKeyUZUUXEYJDKQWLL-KWOCMJOKSA-N
XLogP4.41
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]heptanoic acid
CID 14860295
7-[(1S,2S,3R,4R)-3-phenoxy-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 54249380
(Z)-7-[(1S,2S,3R,4R)-3-(benzylsulfanylmethyl)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 70428471
(Z)-7-[(1S,2S,3R,4R)-3-(phenylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 70428810
(Z)-7-(3-formyl-2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid
CID 88676999
(Z)-7-[(1S,2S,3R,4R)-3-(2-benzylsulfanylethyl)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 70429726
7-[(1S,2S,3R,4R)-3-(4-phenylsulfanylbutyl)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 54028185
7-[(1R,2R,3R,4S)-3-(3-hydroxy-3-phenylprop-1-enyl)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 57211571
(Z)-7-[(1R,2R,3R,4S)-3-[(4-phenylbenzoyl)amino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 58697859
(Z)-7-[(1R,2R,3R,4S)-3-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 88657565
7-[3-[(benzhydrylidenehydrazinylidene)methyl]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 57272710
(E)-7-[(1R,2S,3R,4R)-3-[(1S)-1-hydroxyethyl]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 70360504

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid (CID 14860292) is (Z)-7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid is O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1c1cccnc1.
What is the InChIKey of (Z)-7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid?
The InChIKey is UZUUXEYJDKQWLL-KWOCMJOKSA-N. The full InChI is InChI=1S/C19H25NO2/c21-18(22)8-4-2-1-3-7-17-14-9-10-15(12-14)19(17)16-6-5-11-20-13-16/h1,3,5-6,11,13-15,17,19H,2,4,7-10,12H2,(H,21,22)/b3-1-/t14-,15+,17+,19+/m0/s1.
What are the key properties of (Z)-7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid?
(Z)-7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid has a molecular weight of 299.41 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid is sourced from PubChem (CID 14860292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).