5-methyl-2-propan-2-ylbicyclo[2.1.0]pent-1-ene

C9H14 — CID 91326642

IUPAC5-methyl-2-propan-2-ylbicyclo[2.1.0]pent-1-ene
SMILESCC(C)C1=C2C(C)C2C1
InChIInChI=1S/C9H14/c1-5(2)7-4-8-6(3)9(7)8/h5-6,8H,4H2,1-3H3
InChIKeyVSRDREWNUOZMAA-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.61
Rot. Bonds1

About 5-methyl-2-propan-2-ylbicyclo[2.1.0]pent-1-ene

5-methyl-2-propan-2-ylbicyclo[2.1.0]pent-1-ene (PubChem CID 91326642) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 5-methyl-2-propan-2-ylbicyclo[2.1.0]pent-1-ene.

Molecular Properties

Compound Name5-methyl-2-propan-2-ylbicyclo[2.1.0]pent-1-ene
PubChem CID91326642
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name5-methyl-2-propan-2-ylbicyclo[2.1.0]pent-1-ene
SMILESCC(C)C1=C2C(C)C2C1
InChIInChI=1S/C9H14/c1-5(2)7-4-8-6(3)9(7)8/h5-6,8H,4H2,1-3H3
InChIKeyVSRDREWNUOZMAA-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.61
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

2,3,4,5,6,7,8,9,10,11,12,13-Dodecahydro-2-methyl-1H-cyclopentacyclododecene
CID 14609946
Cyclopentene, 1,3-dimethyl-2-(1-methylethyl)-
CID 579282
Tetramethyloctene
CID 18915868
Tetramethylundecene
CID 156827842
1-(Isopropylidenecyclopropyl)hexane
CID 32479
2-Ethyl-1,3-dimethylcyclopentene
CID 21721489
Cyclopentene, 1-isopropyl-2,3-dimethyl-
CID 565638
3,4-Dimethylbicyclo[4.1.0]hept-3-ene
CID 12651895
1-Methyl-2-(4-methylpentyl)-cyclopentene
CID 129726253
2,6,6-Trimethylbicyclo[3.1.0]hex-1-ene
CID 164667191
1-Hexyl-2,3-dimethylcyclopropene
CID 13509990
(6S,7S)-6,7-Dimethylbicyclo[3.2.0]hept-1(5)-ene
CID 71413448

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-ylbicyclo[2.1.0]pent-1-ene?
The IUPAC name of 5-methyl-2-propan-2-ylbicyclo[2.1.0]pent-1-ene (CID 91326642) is 5-methyl-2-propan-2-ylbicyclo[2.1.0]pent-1-ene.
What is the SMILES notation for 5-methyl-2-propan-2-ylbicyclo[2.1.0]pent-1-ene?
The canonical SMILES for 5-methyl-2-propan-2-ylbicyclo[2.1.0]pent-1-ene is CC(C)C1=C2C(C)C2C1.
What is the InChIKey of 5-methyl-2-propan-2-ylbicyclo[2.1.0]pent-1-ene?
The InChIKey is VSRDREWNUOZMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-5(2)7-4-8-6(3)9(7)8/h5-6,8H,4H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-ylbicyclo[2.1.0]pent-1-ene?
5-methyl-2-propan-2-ylbicyclo[2.1.0]pent-1-ene has a molecular weight of 122.21 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-ylbicyclo[2.1.0]pent-1-ene is sourced from PubChem (CID 91326642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).