2-[2-(6-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-prop-2-enoxychromene-6-carboxylic acid

C22H19NO5 — CID 20555321

IUPAC2-[2-(6-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-prop-2-enoxychromene-6-carboxylic acid
SMILESC=CCOc1c(C2CC2c2cccc(C)n2)oc2ccc(C(=O)O)cc2c1=O
InChIInChI=1S/C22H19NO5/c1-3-9-27-21-19(24)16-10-13(22(25)26)7-8-18(16)28-20(21)15-11-14(15)17-6-4-5-12(2)23-17/h3-8,10,14-15H,1,9,11H2,2H3,(H,25,26)
InChIKeyYVXOQBDOYAWDQL-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.03
Rot. Bonds6

About 2-[2-(6-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-prop-2-enoxychromene-6-carboxylic acid

2-[2-(6-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-prop-2-enoxychromene-6-carboxylic acid (PubChem CID 20555321) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-[2-(6-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-prop-2-enoxychromene-6-carboxylic acid.

Molecular Properties

Compound Name2-[2-(6-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-prop-2-enoxychromene-6-carboxylic acid
PubChem CID20555321
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC Name2-[2-(6-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-prop-2-enoxychromene-6-carboxylic acid
SMILESC=CCOc1c(C2CC2c2cccc(C)n2)oc2ccc(C(=O)O)cc2c1=O
InChIInChI=1S/C22H19NO5/c1-3-9-27-21-19(24)16-10-13(22(25)26)7-8-18(16)28-20(21)15-11-14(15)17-6-4-5-12(2)23-17/h3-8,10,14-15H,1,9,11H2,2H3,(H,25,26)
InChIKeyYVXOQBDOYAWDQL-UHFFFAOYSA-N
XLogP4.03
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-2-[(1R,2R)-2-(6-methyl-2-pyridinyl)cyclopropyl]-4-oxochromene-6-carboxylic acid
CID 22818876
3-ethoxy-4-oxo-2-(2-phenylcyclopropyl)chromene-6-carboxylic acid
CID 12704802
2-[(1R,2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-propoxychromene-6-carboxylic acid
CID 22818875
2-methyl-4-prop-2-enoxyquinoline-6-carboxylic acid
CID 102536835
3-ethoxy-4-oxo-2-(2-phenylethenyl)chromene-6-carboxylic acid
CID 54021243
3-ethoxy-2-[2-(4-methylphenyl)ethenyl]-4-oxochromene-6-carboxylic acid
CID 54461888
2-(diethylamino)ethyl 3-ethoxy-4-oxo-2-(2-phenylcyclopropyl)chromene-6-carboxylate
CID 21313886
4-oxo-2-(2-phenylethenyl)-3-propoxychromene-6-carboxylic acid
CID 54367638
3-(2-methylpropoxy)-4-oxo-2-(2-phenylethenyl)chromene-6-carboxylic acid
CID 54252007
ethyl 2-[2-(3-methylphenyl)cyclopropyl]-4-oxo-3-propylchromene-6-carboxylate
CID 57242658
ethane;2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxylic acid
CID 170751211
4-methyl-3-prop-2-enoxybenzoic acid
CID 23510414

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-prop-2-enoxychromene-6-carboxylic acid?
The IUPAC name of 2-[2-(6-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-prop-2-enoxychromene-6-carboxylic acid (CID 20555321) is 2-[2-(6-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-prop-2-enoxychromene-6-carboxylic acid.
What is the SMILES notation for 2-[2-(6-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-prop-2-enoxychromene-6-carboxylic acid?
The canonical SMILES for 2-[2-(6-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-prop-2-enoxychromene-6-carboxylic acid is C=CCOc1c(C2CC2c2cccc(C)n2)oc2ccc(C(=O)O)cc2c1=O.
What is the InChIKey of 2-[2-(6-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-prop-2-enoxychromene-6-carboxylic acid?
The InChIKey is YVXOQBDOYAWDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5/c1-3-9-27-21-19(24)16-10-13(22(25)26)7-8-18(16)28-20(21)15-11-14(15)17-6-4-5-12(2)23-17/h3-8,10,14-15H,1,9,11H2,2H3,(H,25,26).
What are the key properties of 2-[2-(6-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-prop-2-enoxychromene-6-carboxylic acid?
2-[2-(6-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-prop-2-enoxychromene-6-carboxylic acid has a molecular weight of 377.40 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-prop-2-enoxychromene-6-carboxylic acid is sourced from PubChem (CID 20555321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).