5-cyclopentyloxy-4-ethyl-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one

C16H22N2O2 — CID 168926397

IUPAC5-cyclopentyloxy-4-ethyl-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESCCc1c(OC2CCCC2)cnc2c1C(C)(C)C(=O)N2
InChIInChI=1S/C16H22N2O2/c1-4-11-12(20-10-7-5-6-8-10)9-17-14-13(11)16(2,3)15(19)18-14/h9-10H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyAOCZZHNXXRIIEF-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.20
Rot. Bonds3

About 5-cyclopentyloxy-4-ethyl-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one

5-cyclopentyloxy-4-ethyl-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 168926397) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-cyclopentyloxy-4-ethyl-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5-cyclopentyloxy-4-ethyl-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID168926397
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name5-cyclopentyloxy-4-ethyl-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESCCc1c(OC2CCCC2)cnc2c1C(C)(C)C(=O)N2
InChIInChI=1S/C16H22N2O2/c1-4-11-12(20-10-7-5-6-8-10)9-17-14-13(11)16(2,3)15(19)18-14/h9-10H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyAOCZZHNXXRIIEF-UHFFFAOYSA-N
XLogP3.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyloxy-4-ethyl-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 5-cyclopentyloxy-4-ethyl-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one (CID 168926397) is 5-cyclopentyloxy-4-ethyl-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 5-cyclopentyloxy-4-ethyl-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 5-cyclopentyloxy-4-ethyl-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one is CCc1c(OC2CCCC2)cnc2c1C(C)(C)C(=O)N2.
What is the InChIKey of 5-cyclopentyloxy-4-ethyl-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is AOCZZHNXXRIIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-11-12(20-10-7-5-6-8-10)9-17-14-13(11)16(2,3)15(19)18-14/h9-10H,4-8H2,1-3H3,(H,17,18,19).
What are the key properties of 5-cyclopentyloxy-4-ethyl-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one?
5-cyclopentyloxy-4-ethyl-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 274.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyloxy-4-ethyl-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 168926397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).