(2-amino-5-chlorophenyl)-pyrrolidin-1-ylmethanone

C11H13ClN2O — CID 16776146

IUPAC(2-amino-5-chlorophenyl)-pyrrolidin-1-ylmethanone
SMILESNc1ccc(Cl)cc1C(=O)N1CCCC1
InChIInChI=1S/C11H13ClN2O/c12-8-3-4-10(13)9(7-8)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6,13H2
InChIKeyMQNFUAUURHFKJW-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.16
Rot. Bonds1

About (2-amino-5-chlorophenyl)-pyrrolidin-1-ylmethanone

(2-amino-5-chlorophenyl)-pyrrolidin-1-ylmethanone (PubChem CID 16776146) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is (2-amino-5-chlorophenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-amino-5-chlorophenyl)-pyrrolidin-1-ylmethanone
PubChem CID16776146
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name(2-amino-5-chlorophenyl)-pyrrolidin-1-ylmethanone
SMILESNc1ccc(Cl)cc1C(=O)N1CCCC1
InChIInChI=1S/C11H13ClN2O/c12-8-3-4-10(13)9(7-8)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6,13H2
InChIKeyMQNFUAUURHFKJW-UHFFFAOYSA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chlorophenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-amino-5-chlorophenyl)-pyrrolidin-1-ylmethanone (CID 16776146) is (2-amino-5-chlorophenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-amino-5-chlorophenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-amino-5-chlorophenyl)-pyrrolidin-1-ylmethanone is Nc1ccc(Cl)cc1C(=O)N1CCCC1.
What is the InChIKey of (2-amino-5-chlorophenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is MQNFUAUURHFKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-8-3-4-10(13)9(7-8)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6,13H2.
What are the key properties of (2-amino-5-chlorophenyl)-pyrrolidin-1-ylmethanone?
(2-amino-5-chlorophenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 224.69 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chlorophenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 16776146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).