3-methylbicyclo[3.2.0]heptan-6-one;molecular hydrogen;hydrobromide

C8H17BrO — CID 143732119

IUPAC3-methylbicyclo[3.2.0]heptan-6-one;molecular hydrogen;hydrobromide
SMILESBr.CC1CC2CC(=O)C2C1.[H][H].[H][H]
InChIInChI=1S/C8H12O.BrH.2H2/c1-5-2-6-4-8(9)7(6)3-5;;;/h5-7H,2-4H2,1H3;3*1H
InChIKeyNUJISKFNVOXUKU-UHFFFAOYSA-N
MW209.13 g/mol
LogP2.69
Rot. Bonds

About 3-methylbicyclo[3.2.0]heptan-6-one;molecular hydrogen;hydrobromide

3-methylbicyclo[3.2.0]heptan-6-one;molecular hydrogen;hydrobromide (PubChem CID 143732119) has the molecular formula C8H17BrO and a molecular weight of 209.13 g/mol. Its IUPAC name is 3-methylbicyclo[3.2.0]heptan-6-one;molecular hydrogen;hydrobromide.

Molecular Properties

Compound Name3-methylbicyclo[3.2.0]heptan-6-one;molecular hydrogen;hydrobromide
PubChem CID143732119
Molecular FormulaC8H17BrO
Molecular Weight209.13 g/mol
Exact Mass208.05
IUPAC Name3-methylbicyclo[3.2.0]heptan-6-one;molecular hydrogen;hydrobromide
SMILESBr.CC1CC2CC(=O)C2C1.[H][H].[H][H]
InChIInChI=1S/C8H12O.BrH.2H2/c1-5-2-6-4-8(9)7(6)3-5;;;/h5-7H,2-4H2,1H3;3*1H
InChIKeyNUJISKFNVOXUKU-UHFFFAOYSA-N
XLogP2.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,4R,8S)-4-methylbicyclo[6.1.0]nonan-2-one
CID 10654411
(1R)-3-(bromomethyl)bicyclo[3.2.0]heptan-6-one;methane
CID 142304143
(1S,3R,6R,8R)-tricyclo[4.3.1.03,8]decan-4-one
CID 98059163
bicyclo[3.2.0]heptane-3,6-dione
CID 141109024
ethane;3-methylbicyclo[3.1.0]hexane
CID 143195876
methane;3-methylbicyclo[3.1.0]hexane
CID 143309580
(1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one
CID 161069334
3,7-dimethylbicyclo[3.3.1]nonan-9-one
CID 101110552
(1S,4R,6R)-4-methylbicyclo[4.1.0]heptan-3-one;propane
CID 159416985
(2R,6R)-tricyclo[5.2.1.02,6]decan-8-one
CID 91749107
(1R,4R,7S)-7-methoxybicyclo[2.2.1]heptan-2-one
CID 15262519
2-(4,7-dimethyl-2-oxo-3,3a,4,5,5a,6,7,8,8a,8b-decahydroacenaphthylen-1-ylidene)propanedinitrile
CID 173466433

Frequently Asked Questions

What is the IUPAC name of 3-methylbicyclo[3.2.0]heptan-6-one;molecular hydrogen;hydrobromide?
The IUPAC name of 3-methylbicyclo[3.2.0]heptan-6-one;molecular hydrogen;hydrobromide (CID 143732119) is 3-methylbicyclo[3.2.0]heptan-6-one;molecular hydrogen;hydrobromide.
What is the SMILES notation for 3-methylbicyclo[3.2.0]heptan-6-one;molecular hydrogen;hydrobromide?
The canonical SMILES for 3-methylbicyclo[3.2.0]heptan-6-one;molecular hydrogen;hydrobromide is Br.CC1CC2CC(=O)C2C1.[H][H].[H][H].
What is the InChIKey of 3-methylbicyclo[3.2.0]heptan-6-one;molecular hydrogen;hydrobromide?
The InChIKey is NUJISKFNVOXUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O.BrH.2H2/c1-5-2-6-4-8(9)7(6)3-5;;;/h5-7H,2-4H2,1H3;3*1H.
What are the key properties of 3-methylbicyclo[3.2.0]heptan-6-one;molecular hydrogen;hydrobromide?
3-methylbicyclo[3.2.0]heptan-6-one;molecular hydrogen;hydrobromide has a molecular weight of 209.13 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbicyclo[3.2.0]heptan-6-one;molecular hydrogen;hydrobromide is sourced from PubChem (CID 143732119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).