(1S,2S)-2-methylbicyclo[3.1.0]hexane

C7H12 — CID 154518403

IUPAC(1S,2S)-2-methylbicyclo[3.1.0]hexane
SMILESC[C@H]1CCC2C[C@H]21
InChIInChI=1S/C7H12/c1-5-2-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6?,7-/m0/s1
InChIKeyQRDJCCQTEQVLKC-LOJRBXKRSA-N
MW96.17 g/mol
LogP2.05
Rot. Bonds

About (1S,2S)-2-methylbicyclo[3.1.0]hexane

(1S,2S)-2-methylbicyclo[3.1.0]hexane (PubChem CID 154518403) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is (1S,2S)-2-methylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,2S)-2-methylbicyclo[3.1.0]hexane
PubChem CID154518403
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name(1S,2S)-2-methylbicyclo[3.1.0]hexane
SMILESC[C@H]1CCC2C[C@H]21
InChIInChI=1S/C7H12/c1-5-2-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6?,7-/m0/s1
InChIKeyQRDJCCQTEQVLKC-LOJRBXKRSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-methylbicyclo[3.1.0]hexane?
The IUPAC name of (1S,2S)-2-methylbicyclo[3.1.0]hexane (CID 154518403) is (1S,2S)-2-methylbicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,2S)-2-methylbicyclo[3.1.0]hexane?
The canonical SMILES for (1S,2S)-2-methylbicyclo[3.1.0]hexane is C[C@H]1CCC2C[C@H]21.
What is the InChIKey of (1S,2S)-2-methylbicyclo[3.1.0]hexane?
The InChIKey is QRDJCCQTEQVLKC-LOJRBXKRSA-N. The full InChI is InChI=1S/C7H12/c1-5-2-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6?,7-/m0/s1.
What are the key properties of (1S,2S)-2-methylbicyclo[3.1.0]hexane?
(1S,2S)-2-methylbicyclo[3.1.0]hexane has a molecular weight of 96.17 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-methylbicyclo[3.1.0]hexane is sourced from PubChem (CID 154518403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).