4-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]pyridine-2-carboxylic acid

C16H19NO5 — CID 134296075

IUPAC4-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(/C=C/C2(O)CCC3(CC2)OCCO3)ccn1
InChIInChI=1S/C16H19NO5/c18-14(19)13-11-12(2-8-17-13)1-3-15(20)4-6-16(7-5-15)21-9-10-22-16/h1-3,8,11,20H,4-7,9-10H2,(H,18,19)/b3-1+
InChIKeyRZEKYJMVIUJWDQ-HNQUOIGGSA-N
MW305.33 g/mol
LogP1.84
Rot. Bonds3

About 4-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]pyridine-2-carboxylic acid

4-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]pyridine-2-carboxylic acid (PubChem CID 134296075) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]pyridine-2-carboxylic acid
PubChem CID134296075
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name4-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(/C=C/C2(O)CCC3(CC2)OCCO3)ccn1
InChIInChI=1S/C16H19NO5/c18-14(19)13-11-12(2-8-17-13)1-3-15(20)4-6-16(7-5-15)21-9-10-22-16/h1-3,8,11,20H,4-7,9-10H2,(H,18,19)/b3-1+
InChIKeyRZEKYJMVIUJWDQ-HNQUOIGGSA-N
XLogP1.84
TPSA88.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

methyl 2-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]pyridine-4-carboxylate
CID 129096077
4-(3-chloroprop-1-enyl)pyridine-2-carboxylic acid
CID 169477405
4-formylpyridine-2-carboxylic acid;hydrochloride
CID 146082186
4-(3-cyanoprop-1-enyl)pyridine-2-carboxylic acid
CID 170799753
4-(3-acetamidoprop-1-enyl)pyridine-2-carboxylic acid
CID 169465521
ethyl 5-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]furan-2-carboxylate
CID 134296071
4-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109084662
4-aminopyridine-2-carboxylic acid;hydrate
CID 74892475
hydrazine;pyridine-2,4-dicarboxylic acid
CID 71369189
4-(oxolan-3-yloxy)pyridine-2-carboxylic acid
CID 63556832
2-(2-methyloxan-2-yl)pyrimidine-4-carboxylic acid
CID 80681647
N-(3,4-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109215686

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]pyridine-2-carboxylic acid (CID 134296075) is 4-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]pyridine-2-carboxylic acid is O=C(O)c1cc(/C=C/C2(O)CCC3(CC2)OCCO3)ccn1.
What is the InChIKey of 4-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]pyridine-2-carboxylic acid?
The InChIKey is RZEKYJMVIUJWDQ-HNQUOIGGSA-N. The full InChI is InChI=1S/C16H19NO5/c18-14(19)13-11-12(2-8-17-13)1-3-15(20)4-6-16(7-5-15)21-9-10-22-16/h1-3,8,11,20H,4-7,9-10H2,(H,18,19)/b3-1+.
What are the key properties of 4-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]pyridine-2-carboxylic acid?
4-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]pyridine-2-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 134296075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).