2-(4-chlorophenyl)-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one

C14H18ClNO2 — CID 69153508

IUPAC2-(4-chlorophenyl)-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCC(O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO2/c1-14(2,10-3-5-11(15)6-4-10)13(18)16-8-7-12(17)9-16/h3-6,12,17H,7-9H2,1-2H3
InChIKeyQZPVGWOQLAPUGU-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.21
Rot. Bonds2

About 2-(4-chlorophenyl)-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one

2-(4-chlorophenyl)-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one (PubChem CID 69153508) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one
PubChem CID69153508
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-(4-chlorophenyl)-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCC(O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO2/c1-14(2,10-3-5-11(15)6-4-10)13(18)16-8-7-12(17)9-16/h3-6,12,17H,7-9H2,1-2H3
InChIKeyQZPVGWOQLAPUGU-UHFFFAOYSA-N
XLogP2.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 2-(4-chlorophenyl)-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one (CID 69153508) is 2-(4-chlorophenyl)-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-(4-chlorophenyl)-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one is CC(C)(C(=O)N1CCC(O)C1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one?
The InChIKey is QZPVGWOQLAPUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-14(2,10-3-5-11(15)6-4-10)13(18)16-8-7-12(17)9-16/h3-6,12,17H,7-9H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one?
2-(4-chlorophenyl)-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one has a molecular weight of 267.76 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 69153508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).