(1S,2R,4R)-2-methylbicyclo[2.1.0]pentane

C6H10 — CID 153472932

IUPAC(1S,2R,4R)-2-methylbicyclo[2.1.0]pentane
SMILESC[C@@H]1C[C@H]2C[C@H]21
InChIInChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1
InChIKeyFSNXAYJQMDEIOT-SRQIZXRXSA-N
MW82.15 g/mol
LogP1.66
Rot. Bonds

About (1S,2R,4R)-2-methylbicyclo[2.1.0]pentane

(1S,2R,4R)-2-methylbicyclo[2.1.0]pentane (PubChem CID 153472932) has the molecular formula C6H10 and a molecular weight of 82.15 g/mol. Its IUPAC name is (1S,2R,4R)-2-methylbicyclo[2.1.0]pentane.

Molecular Properties

Compound Name(1S,2R,4R)-2-methylbicyclo[2.1.0]pentane
PubChem CID153472932
Molecular FormulaC6H10
Molecular Weight82.15 g/mol
Exact Mass82.08
IUPAC Name(1S,2R,4R)-2-methylbicyclo[2.1.0]pentane
SMILESC[C@@H]1C[C@H]2C[C@H]21
InChIInChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1
InChIKeyFSNXAYJQMDEIOT-SRQIZXRXSA-N
XLogP1.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.15
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-2-methylbicyclo[2.1.0]pentane?
The IUPAC name of (1S,2R,4R)-2-methylbicyclo[2.1.0]pentane (CID 153472932) is (1S,2R,4R)-2-methylbicyclo[2.1.0]pentane.
What is the SMILES notation for (1S,2R,4R)-2-methylbicyclo[2.1.0]pentane?
The canonical SMILES for (1S,2R,4R)-2-methylbicyclo[2.1.0]pentane is C[C@@H]1C[C@H]2C[C@H]21.
What is the InChIKey of (1S,2R,4R)-2-methylbicyclo[2.1.0]pentane?
The InChIKey is FSNXAYJQMDEIOT-SRQIZXRXSA-N. The full InChI is InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1.
What are the key properties of (1S,2R,4R)-2-methylbicyclo[2.1.0]pentane?
(1S,2R,4R)-2-methylbicyclo[2.1.0]pentane has a molecular weight of 82.15 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-2-methylbicyclo[2.1.0]pentane is sourced from PubChem (CID 153472932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).