[2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone

C15H19ClN2O2 — CID 60947717

IUPAC[2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
SMILESO=C(C1CC(O)CN1)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O2/c16-12-5-2-1-4-11(12)14-6-3-7-18(14)15(20)13-8-10(19)9-17-13/h1-2,4-5,10,13-14,17,19H,3,6-9H2
InChIKeyQZUNONDMQFWWFF-UHFFFAOYSA-N
MW294.78 g/mol
LogP1.73
Rot. Bonds2

About [2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone

[2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone (PubChem CID 60947717) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is [2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
PubChem CID60947717
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name[2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
SMILESO=C(C1CC(O)CN1)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O2/c16-12-5-2-1-4-11(12)14-6-3-7-18(14)15(20)13-8-10(19)9-17-13/h1-2,4-5,10,13-14,17,19H,3,6-9H2
InChIKeyQZUNONDMQFWWFF-UHFFFAOYSA-N
XLogP1.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-chlorophenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 61164921
azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 124515538
(4-hydroxypyrrolidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 54869522
4-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674060
(2-benzhydrylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 73158126
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
[2-(2-chlorophenyl)morpholin-4-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119774918
1-adamantyl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 51856008
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 53017065
(2S)-2-(2-chlorophenyl)-N-cyclopentylpyrrolidine-1-carboxamide
CID 51694860
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]butane-1,3-dione
CID 54876515
3-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 136578562

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone?
The IUPAC name of [2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone (CID 60947717) is [2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone is O=C(C1CC(O)CN1)N1CCCC1c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone?
The InChIKey is QZUNONDMQFWWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-12-5-2-1-4-11(12)14-6-3-7-18(14)15(20)13-8-10(19)9-17-13/h1-2,4-5,10,13-14,17,19H,3,6-9H2.
What are the key properties of [2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone?
[2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone has a molecular weight of 294.78 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone is sourced from PubChem (CID 60947717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).