N-[1-(1-iodoethyl)pyrrolidin-3-yl]propanamide

C9H17IN2O — CID 146427409

IUPACN-[1-(1-iodoethyl)pyrrolidin-3-yl]propanamide
SMILESCCC(=O)NC1CCN(C(C)I)C1
InChIInChI=1S/C9H17IN2O/c1-3-9(13)11-8-4-5-12(6-8)7(2)10/h7-8H,3-6H2,1-2H3,(H,11,13)
InChIKeyWTUMCAIXPOYRBK-UHFFFAOYSA-N
MW296.15 g/mol
LogP1.37
Rot. Bonds3

About N-[1-(1-iodoethyl)pyrrolidin-3-yl]propanamide

N-[1-(1-iodoethyl)pyrrolidin-3-yl]propanamide (PubChem CID 146427409) has the molecular formula C9H17IN2O and a molecular weight of 296.15 g/mol. Its IUPAC name is N-[1-(1-iodoethyl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[1-(1-iodoethyl)pyrrolidin-3-yl]propanamide
PubChem CID146427409
Molecular FormulaC9H17IN2O
Molecular Weight296.15 g/mol
Exact Mass296.04
IUPAC NameN-[1-(1-iodoethyl)pyrrolidin-3-yl]propanamide
SMILESCCC(=O)NC1CCN(C(C)I)C1
InChIInChI=1S/C9H17IN2O/c1-3-9(13)11-8-4-5-12(6-8)7(2)10/h7-8H,3-6H2,1-2H3,(H,11,13)
InChIKeyWTUMCAIXPOYRBK-UHFFFAOYSA-N
XLogP1.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 51.37
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]propanamide
CID 130272361
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
2-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 126988298
N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 71193586
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanamide
CID 110871450
ethane;N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide
CID 176702681
N-[1-(2-chloroacetyl)pyrrolidin-3-yl]propanamide
CID 154848050
N-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide
CID 96549596
ethane;N-[4-(propanoylamino)cyclohexyl]propanamide
CID 144871719
N-[1-[(2R)-2-aminopropanoyl]piperidin-3-yl]propanamide;hydrochloride
CID 119310713
(1-propan-2-ylpyrrolidin-3-yl)urea
CID 72571919
2,2,2-trifluoro-N-(1-pentan-3-ylpyrrolidin-3-yl)acetamide
CID 126576034

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-iodoethyl)pyrrolidin-3-yl]propanamide?
The IUPAC name of N-[1-(1-iodoethyl)pyrrolidin-3-yl]propanamide (CID 146427409) is N-[1-(1-iodoethyl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for N-[1-(1-iodoethyl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for N-[1-(1-iodoethyl)pyrrolidin-3-yl]propanamide is CCC(=O)NC1CCN(C(C)I)C1.
What is the InChIKey of N-[1-(1-iodoethyl)pyrrolidin-3-yl]propanamide?
The InChIKey is WTUMCAIXPOYRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17IN2O/c1-3-9(13)11-8-4-5-12(6-8)7(2)10/h7-8H,3-6H2,1-2H3,(H,11,13).
What are the key properties of N-[1-(1-iodoethyl)pyrrolidin-3-yl]propanamide?
N-[1-(1-iodoethyl)pyrrolidin-3-yl]propanamide has a molecular weight of 296.15 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-iodoethyl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 146427409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).