[(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone

C11H12ClIN2O — CID 103805035

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone
SMILESN[C@@H]1CCN(C(=O)c2cc(Cl)ccc2I)C1
InChIInChI=1S/C11H12ClIN2O/c12-7-1-2-10(13)9(5-7)11(16)15-4-3-8(14)6-15/h1-2,5,8H,3-4,6,14H2/t8-/m1/s1
InChIKeyLZBRGKWGJRJJNT-MRVPVSSYSA-N
MW350.59 g/mol
LogP2.12
Rot. Bonds1

About [(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone

[(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone (PubChem CID 103805035) has the molecular formula C11H12ClIN2O and a molecular weight of 350.59 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone
PubChem CID103805035
Molecular FormulaC11H12ClIN2O
Molecular Weight350.59 g/mol
Exact Mass349.97
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone
SMILESN[C@@H]1CCN(C(=O)c2cc(Cl)ccc2I)C1
InChIInChI=1S/C11H12ClIN2O/c12-7-1-2-10(13)9(5-7)11(16)15-4-3-8(14)6-15/h1-2,5,8H,3-4,6,14H2/t8-/m1/s1
InChIKeyLZBRGKWGJRJJNT-MRVPVSSYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.59
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 94339999
(4-amino-3-methylpiperidin-1-yl)-(5-chloro-2-iodophenyl)methanone;hydrochloride
CID 119592350
[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119934207
3-[(3S)-1-(5-chloro-2-iodobenzoyl)piperidin-3-yl]propanamide
CID 52877022
(5-chloro-2-iodophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102677669
[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-nitrophenyl)methanone;hydrochloride
CID 119934218
(3-aminopyrrolidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride
CID 119482552
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 55030511
(3-aminopyrrolidin-1-yl)-(4-fluoro-2-iodophenyl)methanone
CID 103806148
[(3S)-3-aminopyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone
CID 107732190
(5-chloro-2-iodophenyl)-morpholin-4-ylmethanone
CID 39710545

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone (CID 103805035) is [(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone is N[C@@H]1CCN(C(=O)c2cc(Cl)ccc2I)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone?
The InChIKey is LZBRGKWGJRJJNT-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12ClIN2O/c12-7-1-2-10(13)9(5-7)11(16)15-4-3-8(14)6-15/h1-2,5,8H,3-4,6,14H2/t8-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone?
[(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone has a molecular weight of 350.59 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone is sourced from PubChem (CID 103805035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).