1-(5-propan-2-yl-2-pyridinyl)cyclopropane-1-carboxylic acid

C12H15NO2 — CID 115009111

IUPAC1-(5-propan-2-yl-2-pyridinyl)cyclopropane-1-carboxylic acid
SMILESCC(C)c1ccc(C2(C(=O)O)CC2)nc1
InChIInChI=1S/C12H15NO2/c1-8(2)9-3-4-10(13-7-9)12(5-6-12)11(14)15/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKeyQQCWFECNEOJYQT-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.32
Rot. Bonds3

About 1-(5-propan-2-yl-2-pyridinyl)cyclopropane-1-carboxylic acid

1-(5-propan-2-yl-2-pyridinyl)cyclopropane-1-carboxylic acid (PubChem CID 115009111) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(5-propan-2-yl-2-pyridinyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-propan-2-yl-2-pyridinyl)cyclopropane-1-carboxylic acid
PubChem CID115009111
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(5-propan-2-yl-2-pyridinyl)cyclopropane-1-carboxylic acid
SMILESCC(C)c1ccc(C2(C(=O)O)CC2)nc1
InChIInChI=1S/C12H15NO2/c1-8(2)9-3-4-10(13-7-9)12(5-6-12)11(14)15/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKeyQQCWFECNEOJYQT-UHFFFAOYSA-N
XLogP2.32
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-propan-2-yl-2-pyridinyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(5-propan-2-yl-2-pyridinyl)cyclopropane-1-carboxylic acid (CID 115009111) is 1-(5-propan-2-yl-2-pyridinyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(5-propan-2-yl-2-pyridinyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(5-propan-2-yl-2-pyridinyl)cyclopropane-1-carboxylic acid is CC(C)c1ccc(C2(C(=O)O)CC2)nc1.
What is the InChIKey of 1-(5-propan-2-yl-2-pyridinyl)cyclopropane-1-carboxylic acid?
The InChIKey is QQCWFECNEOJYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(2)9-3-4-10(13-7-9)12(5-6-12)11(14)15/h3-4,7-8H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 1-(5-propan-2-yl-2-pyridinyl)cyclopropane-1-carboxylic acid?
1-(5-propan-2-yl-2-pyridinyl)cyclopropane-1-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propan-2-yl-2-pyridinyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115009111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).