(3-cyclopropyloxyphenyl) 1-pyridin-3-ylcyclopentane-1-carboxylate

C20H21NO3 — CID 166242800

IUPAC(3-cyclopropyloxyphenyl) 1-pyridin-3-ylcyclopentane-1-carboxylate
SMILESO=C(Oc1cccc(OC2CC2)c1)C1(c2cccnc2)CCCC1
InChIInChI=1S/C20H21NO3/c22-19(20(10-1-2-11-20)15-5-4-12-21-14-15)24-18-7-3-6-17(13-18)23-16-8-9-16/h3-7,12-14,16H,1-2,8-11H2
InChIKeyCUCLTQMVEVMXMV-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.04
Rot. Bonds5

About (3-cyclopropyloxyphenyl) 1-pyridin-3-ylcyclopentane-1-carboxylate

(3-cyclopropyloxyphenyl) 1-pyridin-3-ylcyclopentane-1-carboxylate (PubChem CID 166242800) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is (3-cyclopropyloxyphenyl) 1-pyridin-3-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name(3-cyclopropyloxyphenyl) 1-pyridin-3-ylcyclopentane-1-carboxylate
PubChem CID166242800
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name(3-cyclopropyloxyphenyl) 1-pyridin-3-ylcyclopentane-1-carboxylate
SMILESO=C(Oc1cccc(OC2CC2)c1)C1(c2cccnc2)CCCC1
InChIInChI=1S/C20H21NO3/c22-19(20(10-1-2-11-20)15-5-4-12-21-14-15)24-18-7-3-6-17(13-18)23-16-8-9-16/h3-7,12-14,16H,1-2,8-11H2
InChIKeyCUCLTQMVEVMXMV-UHFFFAOYSA-N
XLogP4.04
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyloxyphenyl) 1-pyridin-3-ylcyclopentane-1-carboxylate?
The IUPAC name of (3-cyclopropyloxyphenyl) 1-pyridin-3-ylcyclopentane-1-carboxylate (CID 166242800) is (3-cyclopropyloxyphenyl) 1-pyridin-3-ylcyclopentane-1-carboxylate.
What is the SMILES notation for (3-cyclopropyloxyphenyl) 1-pyridin-3-ylcyclopentane-1-carboxylate?
The canonical SMILES for (3-cyclopropyloxyphenyl) 1-pyridin-3-ylcyclopentane-1-carboxylate is O=C(Oc1cccc(OC2CC2)c1)C1(c2cccnc2)CCCC1.
What is the InChIKey of (3-cyclopropyloxyphenyl) 1-pyridin-3-ylcyclopentane-1-carboxylate?
The InChIKey is CUCLTQMVEVMXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c22-19(20(10-1-2-11-20)15-5-4-12-21-14-15)24-18-7-3-6-17(13-18)23-16-8-9-16/h3-7,12-14,16H,1-2,8-11H2.
What are the key properties of (3-cyclopropyloxyphenyl) 1-pyridin-3-ylcyclopentane-1-carboxylate?
(3-cyclopropyloxyphenyl) 1-pyridin-3-ylcyclopentane-1-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyloxyphenyl) 1-pyridin-3-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 166242800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).