1-(2,2-dichlorocyclopropanecarbonyl)pyrrolidine-2-carboxylic acid

C9H11Cl2NO3 — CID 86812705

IUPAC1-(2,2-dichlorocyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)C1CC1(Cl)Cl
InChIInChI=1S/C9H11Cl2NO3/c10-9(11)4-5(9)7(13)12-3-1-2-6(12)8(14)15/h5-6H,1-4H2,(H,14,15)
InChIKeyUGPZJIDTZQNUFP-UHFFFAOYSA-N
MW252.10 g/mol
LogP1.26
Rot. Bonds2

About 1-(2,2-dichlorocyclopropanecarbonyl)pyrrolidine-2-carboxylic acid

1-(2,2-dichlorocyclopropanecarbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 86812705) has the molecular formula C9H11Cl2NO3 and a molecular weight of 252.10 g/mol. Its IUPAC name is 1-(2,2-dichlorocyclopropanecarbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dichlorocyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
PubChem CID86812705
Molecular FormulaC9H11Cl2NO3
Molecular Weight252.10 g/mol
Exact Mass251.01
IUPAC Name1-(2,2-dichlorocyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)C1CC1(Cl)Cl
InChIInChI=1S/C9H11Cl2NO3/c10-9(11)4-5(9)7(13)12-3-1-2-6(12)8(14)15/h5-6H,1-4H2,(H,14,15)
InChIKeyUGPZJIDTZQNUFP-UHFFFAOYSA-N
XLogP1.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(2,2-dimethylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 107000362
(2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 107175429
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
(2R)-1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 80594021
1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 80594408
1-(oxane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 43209805
1-(4-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 61158042
1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 136558034

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dichlorocyclopropanecarbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,2-dichlorocyclopropanecarbonyl)pyrrolidine-2-carboxylic acid (CID 86812705) is 1-(2,2-dichlorocyclopropanecarbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,2-dichlorocyclopropanecarbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,2-dichlorocyclopropanecarbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)C1CC1(Cl)Cl.
What is the InChIKey of 1-(2,2-dichlorocyclopropanecarbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is UGPZJIDTZQNUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO3/c10-9(11)4-5(9)7(13)12-3-1-2-6(12)8(14)15/h5-6H,1-4H2,(H,14,15).
What are the key properties of 1-(2,2-dichlorocyclopropanecarbonyl)pyrrolidine-2-carboxylic acid?
1-(2,2-dichlorocyclopropanecarbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 252.10 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dichlorocyclopropanecarbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 86812705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).