2-iodo-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]pyrrole

C10H18IN — CID 170152209

IUPAC2-iodo-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]pyrrole
SMILESIN1CC2CCCCCCC2C1
InChIInChI=1S/C10H18IN/c11-12-7-9-5-3-1-2-4-6-10(9)8-12/h9-10H,1-8H2
InChIKeyYWTMJBFOLXRXNC-UHFFFAOYSA-N
MW279.17 g/mol
LogP3.24
Rot. Bonds

About 2-iodo-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]pyrrole

2-iodo-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]pyrrole (PubChem CID 170152209) has the molecular formula C10H18IN and a molecular weight of 279.17 g/mol. Its IUPAC name is 2-iodo-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]pyrrole.

Molecular Properties

Compound Name2-iodo-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]pyrrole
PubChem CID170152209
Molecular FormulaC10H18IN
Molecular Weight279.17 g/mol
Exact Mass279.05
IUPAC Name2-iodo-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]pyrrole
SMILESIN1CC2CCCCCCC2C1
InChIInChI=1S/C10H18IN/c11-12-7-9-5-3-1-2-4-6-10(9)8-12/h9-10H,1-8H2
InChIKeyYWTMJBFOLXRXNC-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-iodo-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]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

(4aS,7aS)-6-iodo-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 147493988
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
2-iodo-2-azatricyclo[8.6.1.04,17]heptadecane
CID 170151734
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
azane;cyclohexylcyclohexane
CID 66583255
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
cyclohexylcyclohexane;diiodomethane
CID 123720179
(1S)-3-methyl-3-azabicyclo[5.5.0]dodecane
CID 118321451

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]pyrrole?
The IUPAC name of 2-iodo-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]pyrrole (CID 170152209) is 2-iodo-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]pyrrole.
What is the SMILES notation for 2-iodo-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]pyrrole?
The canonical SMILES for 2-iodo-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]pyrrole is IN1CC2CCCCCCC2C1.
What is the InChIKey of 2-iodo-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]pyrrole?
The InChIKey is YWTMJBFOLXRXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18IN/c11-12-7-9-5-3-1-2-4-6-10(9)8-12/h9-10H,1-8H2.
What are the key properties of 2-iodo-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]pyrrole?
2-iodo-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]pyrrole has a molecular weight of 279.17 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]pyrrole is sourced from PubChem (CID 170152209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).