(2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone

C11H11Cl2NO — CID 116568315

IUPAC(2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone
SMILESO=C(c1cc(Cl)ccc1Cl)C1CCNC1
InChIInChI=1S/C11H11Cl2NO/c12-8-1-2-10(13)9(5-8)11(15)7-3-4-14-6-7/h1-2,5,7,14H,3-4,6H2
InChIKeyUCFGRYXENPXKGV-UHFFFAOYSA-N
MW244.12 g/mol
LogP2.79
Rot. Bonds2

About (2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone

(2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone (PubChem CID 116568315) has the molecular formula C11H11Cl2NO and a molecular weight of 244.12 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone
PubChem CID116568315
Molecular FormulaC11H11Cl2NO
Molecular Weight244.12 g/mol
Exact Mass243.02
IUPAC Name(2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone
SMILESO=C(c1cc(Cl)ccc1Cl)C1CCNC1
InChIInChI=1S/C11H11Cl2NO/c12-8-1-2-10(13)9(5-8)11(15)7-3-4-14-6-7/h1-2,5,7,14H,3-4,6H2
InChIKeyUCFGRYXENPXKGV-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone
CID 116916892
(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568381
(5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone
CID 93188912
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
(2-chloro-5-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride
CID 90039264
(4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride
CID 154891669
2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
(2-hydroxyphenyl)-pyrrolidin-3-ylmethanone
CID 90905389
[2-(3-chloro-4-hydroxyphenyl)phenyl]-pyrrolidin-3-ylmethanone
CID 121230040
(5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone
CID 82550103
methyl (E)-3-(2,5-dichlorophenyl)-3-piperidin-4-ylprop-2-enoate
CID 176947442
(2,5-dichlorophenyl)-(2-methylpyrrolidin-3-yl)methanone
CID 116592107

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone (CID 116568315) is (2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone is O=C(c1cc(Cl)ccc1Cl)C1CCNC1.
What is the InChIKey of (2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone?
The InChIKey is UCFGRYXENPXKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO/c12-8-1-2-10(13)9(5-8)11(15)7-3-4-14-6-7/h1-2,5,7,14H,3-4,6H2.
What are the key properties of (2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone?
(2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone has a molecular weight of 244.12 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 116568315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).