1-iodo-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole

C7H12INO — CID 139403608

IUPAC1-iodo-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
SMILESCC1CC2COCC2N1I
InChIInChI=1S/C7H12INO/c1-5-2-6-3-10-4-7(6)9(5)8/h5-7H,2-4H2,1H3
InChIKeyWCYYEWOZQVTCJX-UHFFFAOYSA-N
MW253.08 g/mol
LogP1.45
Rot. Bonds

About 1-iodo-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole

1-iodo-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole (PubChem CID 139403608) has the molecular formula C7H12INO and a molecular weight of 253.08 g/mol. Its IUPAC name is 1-iodo-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole.

Molecular Properties

Compound Name1-iodo-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
PubChem CID139403608
Molecular FormulaC7H12INO
Molecular Weight253.08 g/mol
Exact Mass253.00
IUPAC Name1-iodo-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
SMILESCC1CC2COCC2N1I
InChIInChI=1S/C7H12INO/c1-5-2-6-3-10-4-7(6)9(5)8/h5-7H,2-4H2,1H3
InChIKeyWCYYEWOZQVTCJX-UHFFFAOYSA-N
XLogP1.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.08
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-iodo-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole 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

(2R,3aR,6aS)-1,2-dimethyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole;ethane
CID 144826290
(2R)-1,2-dimethyl-4-(oxetan-3-yl)piperidine
CID 171414290
ethane;3-oxabicyclo[3.1.0]hexane
CID 177000090
9-methyl-3-oxabicyclo[3.3.1]nonane
CID 90743845
1-iodo-2,5-dimethylpyrrolidine
CID 121369942
(3aS,7aR)-5-methyl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran
CID 167189775
(2S,3aR,6aS)-2-(dimethylcarbamoyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxylic acid
CID 68807402
4-chloro-3,5-dimethylmorpholine
CID 14340350
(3S,4R)-3,4-dimethyloxolane;ethane;methanol
CID 166485181
5-(3-methylbutan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
CID 146652691
4-(2,5-dimethylpiperidin-1-yl)oxolan-3-ol
CID 130503106
1-iodo-2-methylaziridine
CID 139722499

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole?
The IUPAC name of 1-iodo-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole (CID 139403608) is 1-iodo-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole.
What is the SMILES notation for 1-iodo-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole?
The canonical SMILES for 1-iodo-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole is CC1CC2COCC2N1I.
What is the InChIKey of 1-iodo-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole?
The InChIKey is WCYYEWOZQVTCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12INO/c1-5-2-6-3-10-4-7(6)9(5)8/h5-7H,2-4H2,1H3.
What are the key properties of 1-iodo-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole?
1-iodo-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole has a molecular weight of 253.08 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole is sourced from PubChem (CID 139403608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).