4-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one

C14H16ClNO — CID 168687046

IUPAC4-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1C1CCc2ccccc2C1
InChIInChI=1S/C14H16ClNO/c15-12-8-14(17)16(9-12)13-6-5-10-3-1-2-4-11(10)7-13/h1-4,12-13H,5-9H2
InChIKeyOVJPEVYGPJDISD-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.38
Rot. Bonds1

About 4-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one

4-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one (PubChem CID 168687046) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 4-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
PubChem CID168687046
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name4-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1C1CCc2ccccc2C1
InChIInChI=1S/C14H16ClNO/c15-12-8-14(17)16(9-12)13-6-5-10-3-1-2-4-11(10)7-13/h1-4,12-13H,5-9H2
InChIKeyOVJPEVYGPJDISD-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one (CID 168687046) is 4-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one is O=C1CC(Cl)CN1C1CCc2ccccc2C1.
What is the InChIKey of 4-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one?
The InChIKey is OVJPEVYGPJDISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c15-12-8-14(17)16(9-12)13-6-5-10-3-1-2-4-11(10)7-13/h1-4,12-13H,5-9H2.
What are the key properties of 4-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one?
4-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one has a molecular weight of 249.74 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168687046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).