1-[(1S)-1-iodoethyl]-3-pyrrolidin-1-ylpyrrolidine

C10H19IN2 — CID 130220331

IUPAC1-[(1S)-1-iodoethyl]-3-pyrrolidin-1-ylpyrrolidine
SMILESC[C@H](I)N1CCC(N2CCCC2)C1
InChIInChI=1S/C10H19IN2/c1-9(11)13-7-4-10(8-13)12-5-2-3-6-12/h9-10H,2-8H2,1H3/t9-,10?/m1/s1
InChIKeyMOIHZINZRUFGPU-YHMJZVADSA-N
MW294.18 g/mol
LogP1.94
Rot. Bonds2

About 1-[(1S)-1-iodoethyl]-3-pyrrolidin-1-ylpyrrolidine

1-[(1S)-1-iodoethyl]-3-pyrrolidin-1-ylpyrrolidine (PubChem CID 130220331) has the molecular formula C10H19IN2 and a molecular weight of 294.18 g/mol. Its IUPAC name is 1-[(1S)-1-iodoethyl]-3-pyrrolidin-1-ylpyrrolidine.

Molecular Properties

Compound Name1-[(1S)-1-iodoethyl]-3-pyrrolidin-1-ylpyrrolidine
PubChem CID130220331
Molecular FormulaC10H19IN2
Molecular Weight294.18 g/mol
Exact Mass294.06
IUPAC Name1-[(1S)-1-iodoethyl]-3-pyrrolidin-1-ylpyrrolidine
SMILESC[C@H](I)N1CCC(N2CCCC2)C1
InChIInChI=1S/C10H19IN2/c1-9(11)13-7-4-10(8-13)12-5-2-3-6-12/h9-10H,2-8H2,1H3/t9-,10?/m1/s1
InChIKeyMOIHZINZRUFGPU-YHMJZVADSA-N
XLogP1.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 51.94
H-Bond Donors ≤ 50
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'}

Analyze 1-[(1S)-1-iodoethyl]-3-pyrrolidin-1-ylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 130210207
1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
CID 58850224
3-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-ol
CID 63171314
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanethiol
CID 166817734
4-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 64707229
N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propyl]cyclopentanamine
CID 63167834
N-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine
CID 63167031
4,4-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 63171716
1-cyclopentyl-4-(1-iodoethyl)piperazine
CID 139493034
1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
CID 58904691
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid
CID 63170702
N'-hydroxy-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide
CID 76986945

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-iodoethyl]-3-pyrrolidin-1-ylpyrrolidine?
The IUPAC name of 1-[(1S)-1-iodoethyl]-3-pyrrolidin-1-ylpyrrolidine (CID 130220331) is 1-[(1S)-1-iodoethyl]-3-pyrrolidin-1-ylpyrrolidine.
What is the SMILES notation for 1-[(1S)-1-iodoethyl]-3-pyrrolidin-1-ylpyrrolidine?
The canonical SMILES for 1-[(1S)-1-iodoethyl]-3-pyrrolidin-1-ylpyrrolidine is C[C@H](I)N1CCC(N2CCCC2)C1.
What is the InChIKey of 1-[(1S)-1-iodoethyl]-3-pyrrolidin-1-ylpyrrolidine?
The InChIKey is MOIHZINZRUFGPU-YHMJZVADSA-N. The full InChI is InChI=1S/C10H19IN2/c1-9(11)13-7-4-10(8-13)12-5-2-3-6-12/h9-10H,2-8H2,1H3/t9-,10?/m1/s1.
What are the key properties of 1-[(1S)-1-iodoethyl]-3-pyrrolidin-1-ylpyrrolidine?
1-[(1S)-1-iodoethyl]-3-pyrrolidin-1-ylpyrrolidine has a molecular weight of 294.18 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-iodoethyl]-3-pyrrolidin-1-ylpyrrolidine is sourced from PubChem (CID 130220331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).