(3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone

C13H16ClNO2 — CID 115746304

IUPAC(3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(CCO)C1
InChIInChI=1S/C13H16ClNO2/c14-12-3-1-2-11(8-12)13(17)15-6-4-10(9-15)5-7-16/h1-3,8,10,16H,4-7,9H2
InChIKeyLHPNMUPVKOCTKG-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.18
Rot. Bonds3

About (3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone

(3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 115746304) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is (3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID115746304
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name(3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(CCO)C1
InChIInChI=1S/C13H16ClNO2/c14-12-3-1-2-11(8-12)13(17)15-6-4-10(9-15)5-7-16/h1-3,8,10,16H,4-7,9H2
InChIKeyLHPNMUPVKOCTKG-UHFFFAOYSA-N
XLogP2.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746310
(3,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372685
2-(3-chlorophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746581
(4-amino-3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796674
(4-amino-3,5-dichlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115869589
(3-amino-4-fluorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796726
(3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372501
(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 110869857
[3-(2-chloroethyl)pyrrolidin-1-yl]-(3,5-dichlorophenyl)methanone
CID 114801176
(3-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 142181487
2-[(3-chlorophenyl)methylsulfanyl]-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115775312

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 115746304) is (3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone is O=C(c1cccc(Cl)c1)N1CCC(CCO)C1.
What is the InChIKey of (3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is LHPNMUPVKOCTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-12-3-1-2-11(8-12)13(17)15-6-4-10(9-15)5-7-16/h1-3,8,10,16H,4-7,9H2.
What are the key properties of (3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
(3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 253.73 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 115746304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).