bicyclo[2.2.1]hept-2-ene;1-chloropentane

C12H21Cl — CID 174981681

IUPACbicyclo[2.2.1]hept-2-ene;1-chloropentane
SMILESC1=CC2CCC1C2.CCCCCCl
InChIInChI=1S/C7H10.C5H11Cl/c1-2-7-4-3-6(1)5-7;1-2-3-4-5-6/h1-2,6-7H,3-5H2;2-5H2,1H3
InChIKeyFUZBLCUEOKOZLA-UHFFFAOYSA-N
MW200.75 g/mol
LogP4.39
Rot. Bonds3

About bicyclo[2.2.1]hept-2-ene;1-chloropentane

bicyclo[2.2.1]hept-2-ene;1-chloropentane (PubChem CID 174981681) has the molecular formula C12H21Cl and a molecular weight of 200.75 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-2-ene;1-chloropentane.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-2-ene;1-chloropentane
PubChem CID174981681
Molecular FormulaC12H21Cl
Molecular Weight200.75 g/mol
Exact Mass200.13
IUPAC Namebicyclo[2.2.1]hept-2-ene;1-chloropentane
SMILESC1=CC2CCC1C2.CCCCCCl
InChIInChI=1S/C7H10.C5H11Cl/c1-2-7-4-3-6(1)5-7;1-2-3-4-5-6/h1-2,6-7H,3-5H2;2-5H2,1H3
InChIKeyFUZBLCUEOKOZLA-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.75
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hept-2-ene;1-chloropentane?
The IUPAC name of bicyclo[2.2.1]hept-2-ene;1-chloropentane (CID 174981681) is bicyclo[2.2.1]hept-2-ene;1-chloropentane.
What is the SMILES notation for bicyclo[2.2.1]hept-2-ene;1-chloropentane?
The canonical SMILES for bicyclo[2.2.1]hept-2-ene;1-chloropentane is C1=CC2CCC1C2.CCCCCCl.
What is the InChIKey of bicyclo[2.2.1]hept-2-ene;1-chloropentane?
The InChIKey is FUZBLCUEOKOZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.C5H11Cl/c1-2-7-4-3-6(1)5-7;1-2-3-4-5-6/h1-2,6-7H,3-5H2;2-5H2,1H3.
What are the key properties of bicyclo[2.2.1]hept-2-ene;1-chloropentane?
bicyclo[2.2.1]hept-2-ene;1-chloropentane has a molecular weight of 200.75 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-2-ene;1-chloropentane is sourced from PubChem (CID 174981681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).