3-(1-cyclopentyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride

C16H20ClNO2 — CID 82522847

IUPAC3-(1-cyclopentyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride
SMILESO=C(Cl)CCc1cc2c(n(C3CCCC3)c1=O)CCC2
InChIInChI=1S/C16H20ClNO2/c17-15(19)9-8-12-10-11-4-3-7-14(11)18(16(12)20)13-5-1-2-6-13/h10,13H,1-9H2
InChIKeyMYZBOGUDOIAQRJ-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.15
Rot. Bonds4

About 3-(1-cyclopentyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride

3-(1-cyclopentyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride (PubChem CID 82522847) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 3-(1-cyclopentyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride.

Molecular Properties

Compound Name3-(1-cyclopentyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride
PubChem CID82522847
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name3-(1-cyclopentyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride
SMILESO=C(Cl)CCc1cc2c(n(C3CCCC3)c1=O)CCC2
InChIInChI=1S/C16H20ClNO2/c17-15(19)9-8-12-10-11-4-3-7-14(11)18(16(12)20)13-5-1-2-6-13/h10,13H,1-9H2
InChIKeyMYZBOGUDOIAQRJ-UHFFFAOYSA-N
XLogP3.15
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522879
3-(aminomethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82189071
1-cyclopentyl-3-[(cyclopentylamino)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522868
1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl chloride
CID 82522241
3-(1-butan-2-yl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride
CID 82522956
3-(1-butyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride
CID 82522396
2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetonitrile
CID 82522250
3-(bromomethyl)-1-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522451
1-cyclopentyl-3-(2-hydroxypropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522859
1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbohydrazide
CID 82522239
3-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522850
2-(1-cyclopentyl-6-methyl-2-oxo-3-pyridinyl)acetyl chloride
CID 82524860

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride?
The IUPAC name of 3-(1-cyclopentyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride (CID 82522847) is 3-(1-cyclopentyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride.
What is the SMILES notation for 3-(1-cyclopentyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride?
The canonical SMILES for 3-(1-cyclopentyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride is O=C(Cl)CCc1cc2c(n(C3CCCC3)c1=O)CCC2.
What is the InChIKey of 3-(1-cyclopentyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride?
The InChIKey is MYZBOGUDOIAQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c17-15(19)9-8-12-10-11-4-3-7-14(11)18(16(12)20)13-5-1-2-6-13/h10,13H,1-9H2.
What are the key properties of 3-(1-cyclopentyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride?
3-(1-cyclopentyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride has a molecular weight of 293.79 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride is sourced from PubChem (CID 82522847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).