(2R,5R)-2-methylbicyclo[3.1.0]hex-1(6)-ene

C7H10 — CID 149455219

IUPAC(2R,5R)-2-methylbicyclo[3.1.0]hex-1(6)-ene
SMILESC[C@@H]1CC[C@@H]2C=C12
InChIInChI=1S/C7H10/c1-5-2-3-6-4-7(5)6/h4-6H,2-3H2,1H3/t5-,6-/m1/s1
InChIKeyYYKOTHBHXYNAHE-PHDIDXHHSA-N
MW94.16 g/mol
LogP1.97
Rot. Bonds

About (2R,5R)-2-methylbicyclo[3.1.0]hex-1(6)-ene

(2R,5R)-2-methylbicyclo[3.1.0]hex-1(6)-ene (PubChem CID 149455219) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is (2R,5R)-2-methylbicyclo[3.1.0]hex-1(6)-ene.

Molecular Properties

Compound Name(2R,5R)-2-methylbicyclo[3.1.0]hex-1(6)-ene
PubChem CID149455219
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name(2R,5R)-2-methylbicyclo[3.1.0]hex-1(6)-ene
SMILESC[C@@H]1CC[C@@H]2C=C12
InChIInChI=1S/C7H10/c1-5-2-3-6-4-7(5)6/h4-6H,2-3H2,1H3/t5-,6-/m1/s1
InChIKeyYYKOTHBHXYNAHE-PHDIDXHHSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2,3,3a,6-tetrahydro-1H-indene
CID 145030124
1,2,3,6-tetramethylcyclohexene
CID 21243938
(3aS,4R)-7-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol
CID 135068428
3,4-dimethylcyclohex-2-en-1-ol
CID 101312113
(1R,3aS,4R,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene
CID 15560288
ethane;methane;1-methyl-1,2,3,3a,4,5,6,7-octahydroazulene
CID 143696880
6-methyl-4,5,6,7-tetrahydro-3aH-indene
CID 91083284
(1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 100929671
2-[(3R,5R,8R,8aR)-3,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroazulen-5-yl]propane-1,2-diol
CID 71101587
3-methyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene
CID 90700641
1,4,6-trimethyl-7-propan-2-yl-1,2,3,3a-tetrahydroazulene
CID 175828959
(1aR,4S,7S,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4,6,7,7a,7b-octahydrocyclopropa[e]azulene
CID 163060708

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-methylbicyclo[3.1.0]hex-1(6)-ene?
The IUPAC name of (2R,5R)-2-methylbicyclo[3.1.0]hex-1(6)-ene (CID 149455219) is (2R,5R)-2-methylbicyclo[3.1.0]hex-1(6)-ene.
What is the SMILES notation for (2R,5R)-2-methylbicyclo[3.1.0]hex-1(6)-ene?
The canonical SMILES for (2R,5R)-2-methylbicyclo[3.1.0]hex-1(6)-ene is C[C@@H]1CC[C@@H]2C=C12.
What is the InChIKey of (2R,5R)-2-methylbicyclo[3.1.0]hex-1(6)-ene?
The InChIKey is YYKOTHBHXYNAHE-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H10/c1-5-2-3-6-4-7(5)6/h4-6H,2-3H2,1H3/t5-,6-/m1/s1.
What are the key properties of (2R,5R)-2-methylbicyclo[3.1.0]hex-1(6)-ene?
(2R,5R)-2-methylbicyclo[3.1.0]hex-1(6)-ene has a molecular weight of 94.16 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-methylbicyclo[3.1.0]hex-1(6)-ene is sourced from PubChem (CID 149455219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).