(4-chlorophenyl)-(4-methoxypyrrolidin-2-yl)methanone

C12H14ClNO2 — CID 116560565

IUPAC(4-chlorophenyl)-(4-methoxypyrrolidin-2-yl)methanone
SMILESCOC1CNC(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H14ClNO2/c1-16-10-6-11(14-7-10)12(15)8-2-4-9(13)5-3-8/h2-5,10-11,14H,6-7H2,1H3
InChIKeyWIMACIXYWBLBIX-UHFFFAOYSA-N
MW239.70 g/mol
LogP1.90
Rot. Bonds3

About (4-chlorophenyl)-(4-methoxypyrrolidin-2-yl)methanone

(4-chlorophenyl)-(4-methoxypyrrolidin-2-yl)methanone (PubChem CID 116560565) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is (4-chlorophenyl)-(4-methoxypyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(4-methoxypyrrolidin-2-yl)methanone
PubChem CID116560565
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name(4-chlorophenyl)-(4-methoxypyrrolidin-2-yl)methanone
SMILESCOC1CNC(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H14ClNO2/c1-16-10-6-11(14-7-10)12(15)8-2-4-9(13)5-3-8/h2-5,10-11,14H,6-7H2,1H3
InChIKeyWIMACIXYWBLBIX-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4-methoxypyrrolidin-2-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(4-methoxypyrrolidin-2-yl)methanone (CID 116560565) is (4-chlorophenyl)-(4-methoxypyrrolidin-2-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(4-methoxypyrrolidin-2-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(4-methoxypyrrolidin-2-yl)methanone is COC1CNC(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (4-chlorophenyl)-(4-methoxypyrrolidin-2-yl)methanone?
The InChIKey is WIMACIXYWBLBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-16-10-6-11(14-7-10)12(15)8-2-4-9(13)5-3-8/h2-5,10-11,14H,6-7H2,1H3.
What are the key properties of (4-chlorophenyl)-(4-methoxypyrrolidin-2-yl)methanone?
(4-chlorophenyl)-(4-methoxypyrrolidin-2-yl)methanone has a molecular weight of 239.70 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4-methoxypyrrolidin-2-yl)methanone is sourced from PubChem (CID 116560565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).