1-iodo-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-amine

C6H11IN2O — CID 166797027

IUPAC1-iodo-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-amine
SMILESNC1CN(I)C2COCC12
InChIInChI=1S/C6H11IN2O/c7-9-1-5(8)4-2-10-3-6(4)9/h4-6H,1-3,8H2
InChIKeyLQHGTSDVZHQWHE-UHFFFAOYSA-N
MW254.07 g/mol
LogP-0.01
Rot. Bonds

About 1-iodo-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-amine

1-iodo-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-amine (PubChem CID 166797027) has the molecular formula C6H11IN2O and a molecular weight of 254.07 g/mol. Its IUPAC name is 1-iodo-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-amine.

Molecular Properties

Compound Name1-iodo-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-amine
PubChem CID166797027
Molecular FormulaC6H11IN2O
Molecular Weight254.07 g/mol
Exact Mass253.99
IUPAC Name1-iodo-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-amine
SMILESNC1CN(I)C2COCC12
InChIInChI=1S/C6H11IN2O/c7-9-1-5(8)4-2-10-3-6(4)9/h4-6H,1-3,8H2
InChIKeyLQHGTSDVZHQWHE-UHFFFAOYSA-N
XLogP-0.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-iodo-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-amine 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

(6S)-4-iodo-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine
CID 167224966
3-oxabicyclo[3.1.0]hexan-6-amine
CID 52988031
(3R,4R)-oxolane-3,4-diamine;hydrochloride
CID 89488201
(3S,4S)-4-piperidin-1-yloxolan-3-amine;dihydrochloride
CID 122235803
6-iodo-3-oxa-6-azabicyclo[3.2.1]octane
CID 146725261
4-cycloheptyloxolan-3-amine
CID 84769198
5-amino-7-(3-amino-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl)-6-fluoro-1-(2-fluorocyclopropyl)-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 139791902
6-iodo-3,6-diazabicyclo[3.2.0]heptan-3-amine
CID 155351202
1-iodo-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 139403608
[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine
CID 55285236
(3S)-3-iodomorpholin-4-amine
CID 126516016
4-(trifluoromethyl)oxolan-3-amine;hydrochloride
CID 163321398

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-amine?
The IUPAC name of 1-iodo-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-amine (CID 166797027) is 1-iodo-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-amine.
What is the SMILES notation for 1-iodo-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-amine?
The canonical SMILES for 1-iodo-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-amine is NC1CN(I)C2COCC12.
What is the InChIKey of 1-iodo-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-amine?
The InChIKey is LQHGTSDVZHQWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IN2O/c7-9-1-5(8)4-2-10-3-6(4)9/h4-6H,1-3,8H2.
What are the key properties of 1-iodo-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-amine?
1-iodo-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-amine has a molecular weight of 254.07 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-amine is sourced from PubChem (CID 166797027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).