9-(1-bromocyclopropyl)bicyclo[6.1.0]nonane

C12H19Br — CID 15438125

IUPAC9-(1-bromocyclopropyl)bicyclo[6.1.0]nonane
SMILESBrC1(C2C3CCCCCCC32)CC1
InChIInChI=1S/C12H19Br/c13-12(7-8-12)11-9-5-3-1-2-4-6-10(9)11/h9-11H,1-8H2
InChIKeyGSJJYYUOHOLHOH-UHFFFAOYSA-N
MW243.19 g/mol
LogP4.13
Rot. Bonds1

About 9-(1-bromocyclopropyl)bicyclo[6.1.0]nonane

9-(1-bromocyclopropyl)bicyclo[6.1.0]nonane (PubChem CID 15438125) has the molecular formula C12H19Br and a molecular weight of 243.19 g/mol. Its IUPAC name is 9-(1-bromocyclopropyl)bicyclo[6.1.0]nonane.

Molecular Properties

Compound Name9-(1-bromocyclopropyl)bicyclo[6.1.0]nonane
PubChem CID15438125
Molecular FormulaC12H19Br
Molecular Weight243.19 g/mol
Exact Mass242.07
IUPAC Name9-(1-bromocyclopropyl)bicyclo[6.1.0]nonane
SMILESBrC1(C2C3CCCCCCC32)CC1
InChIInChI=1S/C12H19Br/c13-12(7-8-12)11-9-5-3-1-2-4-6-10(9)11/h9-11H,1-8H2
InChIKeyGSJJYYUOHOLHOH-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tricyclo[5.4.0.08,11]undecane
CID 176586412
tricyclo[5.5.0.02,6]dodecane
CID 578151
1,8,8-tribromobicyclo[5.1.0]octane
CID 22146558
1,2-dibromo-1-methylcyclooctane
CID 18443823
10,10-dibromobicyclo[7.1.0]decane
CID 12759792
11,11-dibromobicyclo[8.1.0]undecane
CID 12759798
1-bromo-8,8-dichlorobicyclo[5.1.0]octane
CID 11777253
(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane
CID 101375325
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
1,1-dibromo-2-methylcycloheptane
CID 70854356
2,2,3,3,4-pentabromocyclododecane-1,1-diol
CID 155920368
trans-(1R,2S)-1-bromo-2-chlorocyclohexan-1-amine
CID 173103835

Frequently Asked Questions

What is the IUPAC name of 9-(1-bromocyclopropyl)bicyclo[6.1.0]nonane?
The IUPAC name of 9-(1-bromocyclopropyl)bicyclo[6.1.0]nonane (CID 15438125) is 9-(1-bromocyclopropyl)bicyclo[6.1.0]nonane.
What is the SMILES notation for 9-(1-bromocyclopropyl)bicyclo[6.1.0]nonane?
The canonical SMILES for 9-(1-bromocyclopropyl)bicyclo[6.1.0]nonane is BrC1(C2C3CCCCCCC32)CC1.
What is the InChIKey of 9-(1-bromocyclopropyl)bicyclo[6.1.0]nonane?
The InChIKey is GSJJYYUOHOLHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Br/c13-12(7-8-12)11-9-5-3-1-2-4-6-10(9)11/h9-11H,1-8H2.
What are the key properties of 9-(1-bromocyclopropyl)bicyclo[6.1.0]nonane?
9-(1-bromocyclopropyl)bicyclo[6.1.0]nonane has a molecular weight of 243.19 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-bromocyclopropyl)bicyclo[6.1.0]nonane is sourced from PubChem (CID 15438125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).