(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene

C11H18 — CID 55250323

IUPAC(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene
SMILESCCCCC1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C11H18/c1-2-3-4-10-7-9-5-6-11(10)8-9/h5-6,9-11H,2-4,7-8H2,1H3/t9-,10?,11-/m1/s1
InChIKeyYSWATWCBYRBYBO-GLYLRITDSA-N
MW150.26 g/mol
LogP3.39
Rot. Bonds3

About (1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene

(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene (PubChem CID 55250323) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene
PubChem CID55250323
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene
SMILESCCCCC1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C11H18/c1-2-3-4-10-7-9-5-6-11(10)8-9/h5-6,9-11H,2-4,7-8H2,1H3/t9-,10?,11-/m1/s1
InChIKeyYSWATWCBYRBYBO-GLYLRITDSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.39
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

5-butylbicyclo[2.2.1]hept-2-ene;5-pentylbicyclo[2.2.1]hept-2-ene
CID 159790983
5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene
CID 160577628
5-octadecylbicyclo[2.2.1]hept-2-ene
CID 22169146
5-heptylbicyclo[2.2.1]hept-2-ene
CID 22253270
(1S,4S,5S)-5-hexylbicyclo[2.2.1]hept-2-ene
CID 97304116
5-butylbicyclo[2.2.1]hept-2-ene;furan-2,5-dione
CID 131731366
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
4-(2-bicyclo[2.2.1]hept-5-enyl)-N,N-dipropylbutan-1-amine
CID 21426217
5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene;5-heptylbicyclo[2.2.1]hept-2-ene;5-hexylbicyclo[2.2.1]hept-2-ene;methane;5-methylbicyclo[2.2.1]hept-2-ene;5-octylbicyclo[2.2.1]hept-2-ene;5-pentylbicyclo[2.2.1]hept-2-ene;5-propylbicyclo[2.2.1]hept-2-ene
CID 161408547
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682
5-(8-methoxyoctyl)bicyclo[2.2.1]hept-2-ene
CID 59748193
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butan-1-amine
CID 98118034

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of (1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene (CID 55250323) is (1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene is CCCCC1C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of (1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene?
The InChIKey is YSWATWCBYRBYBO-GLYLRITDSA-N. The full InChI is InChI=1S/C11H18/c1-2-3-4-10-7-9-5-6-11(10)8-9/h5-6,9-11H,2-4,7-8H2,1H3/t9-,10?,11-/m1/s1.
What are the key properties of (1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene?
(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene has a molecular weight of 150.26 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 55250323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).