(5R)-6-propan-2-ylbicyclo[3.1.0]hexan-3-one

C9H14O — CID 134443469

IUPAC(5R)-6-propan-2-ylbicyclo[3.1.0]hexan-3-one
SMILESCC(C)C1C2CC(=O)C[C@H]21
InChIInChI=1S/C9H14O/c1-5(2)9-7-3-6(10)4-8(7)9/h5,7-9H,3-4H2,1-2H3/t7-,8?,9?/m1/s1
InChIKeyXDTGCTVYIBDGER-AFPNSQJFSA-N
MW138.21 g/mol
LogP1.87
Rot. Bonds1

About (5R)-6-propan-2-ylbicyclo[3.1.0]hexan-3-one

(5R)-6-propan-2-ylbicyclo[3.1.0]hexan-3-one (PubChem CID 134443469) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (5R)-6-propan-2-ylbicyclo[3.1.0]hexan-3-one.

Molecular Properties

Compound Name(5R)-6-propan-2-ylbicyclo[3.1.0]hexan-3-one
PubChem CID134443469
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(5R)-6-propan-2-ylbicyclo[3.1.0]hexan-3-one
SMILESCC(C)C1C2CC(=O)C[C@H]21
InChIInChI=1S/C9H14O/c1-5(2)9-7-3-6(10)4-8(7)9/h5,7-9H,3-4H2,1-2H3/t7-,8?,9?/m1/s1
InChIKeyXDTGCTVYIBDGER-AFPNSQJFSA-N
XLogP1.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5R)-6-propan-2-ylbicyclo[3.1.0]hexan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-6-propan-2-ylbicyclo[3.1.0]hexan-3-one?
The IUPAC name of (5R)-6-propan-2-ylbicyclo[3.1.0]hexan-3-one (CID 134443469) is (5R)-6-propan-2-ylbicyclo[3.1.0]hexan-3-one.
What is the SMILES notation for (5R)-6-propan-2-ylbicyclo[3.1.0]hexan-3-one?
The canonical SMILES for (5R)-6-propan-2-ylbicyclo[3.1.0]hexan-3-one is CC(C)C1C2CC(=O)C[C@H]21.
What is the InChIKey of (5R)-6-propan-2-ylbicyclo[3.1.0]hexan-3-one?
The InChIKey is XDTGCTVYIBDGER-AFPNSQJFSA-N. The full InChI is InChI=1S/C9H14O/c1-5(2)9-7-3-6(10)4-8(7)9/h5,7-9H,3-4H2,1-2H3/t7-,8?,9?/m1/s1.
What are the key properties of (5R)-6-propan-2-ylbicyclo[3.1.0]hexan-3-one?
(5R)-6-propan-2-ylbicyclo[3.1.0]hexan-3-one has a molecular weight of 138.21 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-propan-2-ylbicyclo[3.1.0]hexan-3-one is sourced from PubChem (CID 134443469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).