(1S,5R)-5-(3-iodopropyl)bicyclo[3.2.0]heptan-6-one

C10H15IO — CID 11129599

IUPAC(1S,5R)-5-(3-iodopropyl)bicyclo[3.2.0]heptan-6-one
SMILESO=C1C[C@@H]2CCC[C@]12CCCI
InChIInChI=1S/C10H15IO/c11-6-2-5-10-4-1-3-8(10)7-9(10)12/h8H,1-7H2/t8-,10+/m0/s1
InChIKeyITYPJYBUMFOTHU-WCBMZHEXSA-N
MW278.13 g/mol
LogP2.96
Rot. Bonds3

About (1S,5R)-5-(3-iodopropyl)bicyclo[3.2.0]heptan-6-one

(1S,5R)-5-(3-iodopropyl)bicyclo[3.2.0]heptan-6-one (PubChem CID 11129599) has the molecular formula C10H15IO and a molecular weight of 278.13 g/mol. Its IUPAC name is (1S,5R)-5-(3-iodopropyl)bicyclo[3.2.0]heptan-6-one.

Molecular Properties

Compound Name(1S,5R)-5-(3-iodopropyl)bicyclo[3.2.0]heptan-6-one
PubChem CID11129599
Molecular FormulaC10H15IO
Molecular Weight278.13 g/mol
Exact Mass278.02
IUPAC Name(1S,5R)-5-(3-iodopropyl)bicyclo[3.2.0]heptan-6-one
SMILESO=C1C[C@@H]2CCC[C@]12CCCI
InChIInChI=1S/C10H15IO/c11-6-2-5-10-4-1-3-8(10)7-9(10)12/h8H,1-7H2/t8-,10+/m0/s1
InChIKeyITYPJYBUMFOTHU-WCBMZHEXSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.13
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,5R)-5-(3-chloropropyl)bicyclo[3.2.0]heptan-6-one
CID 11106076
(1R,5R)-5-hex-5-enylbicyclo[3.2.0]heptan-6-one
CID 11321466
(4aR,8aS)-8a-propyl-3,4,4a,5,7,8-hexahydro-2H-naphthalene-1,6-dione
CID 102589366
1-(iodomethyl)bicyclo[3.1.0]hexane
CID 147683583
1-[3-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)propyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 122603320
(1S,5S)-5-prop-1-en-2-ylbicyclo[3.2.0]heptan-6-one
CID 134922042
(1R,6S)-6-methoxybicyclo[4.2.0]octan-7-one
CID 131856385
(1S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 129418603
6a-methyl-2,3,3a,4,5,6-hexahydropentalen-1-one
CID 13215924
sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 174955464
2-octyl-2-(2-oxocycloheptyl)cycloheptan-1-one
CID 70469533
(4aS,7aS)-7a-butyl-2-methyl-1,4,4a,5,6,7-hexahydrocyclopenta[c]pyridazin-3-one
CID 102029853

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-5-(3-iodopropyl)bicyclo[3.2.0]heptan-6-one?
The IUPAC name of (1S,5R)-5-(3-iodopropyl)bicyclo[3.2.0]heptan-6-one (CID 11129599) is (1S,5R)-5-(3-iodopropyl)bicyclo[3.2.0]heptan-6-one.
What is the SMILES notation for (1S,5R)-5-(3-iodopropyl)bicyclo[3.2.0]heptan-6-one?
The canonical SMILES for (1S,5R)-5-(3-iodopropyl)bicyclo[3.2.0]heptan-6-one is O=C1C[C@@H]2CCC[C@]12CCCI.
What is the InChIKey of (1S,5R)-5-(3-iodopropyl)bicyclo[3.2.0]heptan-6-one?
The InChIKey is ITYPJYBUMFOTHU-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H15IO/c11-6-2-5-10-4-1-3-8(10)7-9(10)12/h8H,1-7H2/t8-,10+/m0/s1.
What are the key properties of (1S,5R)-5-(3-iodopropyl)bicyclo[3.2.0]heptan-6-one?
(1S,5R)-5-(3-iodopropyl)bicyclo[3.2.0]heptan-6-one has a molecular weight of 278.13 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-5-(3-iodopropyl)bicyclo[3.2.0]heptan-6-one is sourced from PubChem (CID 11129599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).