3-amino-1-(3-iodopyrrolidin-1-yl)propan-1-one

C7H13IN2O — CID 121327609

IUPAC3-amino-1-(3-iodopyrrolidin-1-yl)propan-1-one
SMILESNCCC(=O)N1CCC(I)C1
InChIInChI=1S/C7H13IN2O/c8-6-2-4-10(5-6)7(11)1-3-9/h6H,1-5,9H2
InChIKeyUKHDVTWVKXGTFV-UHFFFAOYSA-N
MW268.10 g/mol
LogP0.37
Rot. Bonds2

About 3-amino-1-(3-iodopyrrolidin-1-yl)propan-1-one

3-amino-1-(3-iodopyrrolidin-1-yl)propan-1-one (PubChem CID 121327609) has the molecular formula C7H13IN2O and a molecular weight of 268.10 g/mol. Its IUPAC name is 3-amino-1-(3-iodopyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-iodopyrrolidin-1-yl)propan-1-one
PubChem CID121327609
Molecular FormulaC7H13IN2O
Molecular Weight268.10 g/mol
Exact Mass268.01
IUPAC Name3-amino-1-(3-iodopyrrolidin-1-yl)propan-1-one
SMILESNCCC(=O)N1CCC(I)C1
InChIInChI=1S/C7H13IN2O/c8-6-2-4-10(5-6)7(11)1-3-9/h6H,1-5,9H2
InChIKeyUKHDVTWVKXGTFV-UHFFFAOYSA-N
XLogP0.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-aminopropanoyl)pyrrolidin-3-yl]boronic acid
CID 167854630
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3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
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CID 53409663
3-amino-1-[(3S)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 129494864
3-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 129494865
4-amino-1-(3-fluoropyrrolidin-1-yl)butan-1-one
CID 83854045
3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
CID 60952932
6-amino-1-(3-nitrosopyrrolidin-1-yl)hexan-1-one
CID 178062004
3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129497497

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-iodopyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3-amino-1-(3-iodopyrrolidin-1-yl)propan-1-one (CID 121327609) is 3-amino-1-(3-iodopyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3-iodopyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(3-iodopyrrolidin-1-yl)propan-1-one is NCCC(=O)N1CCC(I)C1.
What is the InChIKey of 3-amino-1-(3-iodopyrrolidin-1-yl)propan-1-one?
The InChIKey is UKHDVTWVKXGTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13IN2O/c8-6-2-4-10(5-6)7(11)1-3-9/h6H,1-5,9H2.
What are the key properties of 3-amino-1-(3-iodopyrrolidin-1-yl)propan-1-one?
3-amino-1-(3-iodopyrrolidin-1-yl)propan-1-one has a molecular weight of 268.10 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-iodopyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 121327609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).