5-(3-phenylpropyl)bicyclo[2.2.1]hept-1-ene

C16H20 — CID 175443807

IUPAC5-(3-phenylpropyl)bicyclo[2.2.1]hept-1-ene
SMILESC1=C2CC(C1)C(CCCc1ccccc1)C2
InChIInChI=1S/C16H20/c1-2-5-13(6-3-1)7-4-8-15-11-14-9-10-16(15)12-14/h1-3,5-6,9,15-16H,4,7-8,10-12H2
InChIKeyIHWLDCGGSKWXGT-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.37
Rot. Bonds4

About 5-(3-phenylpropyl)bicyclo[2.2.1]hept-1-ene

5-(3-phenylpropyl)bicyclo[2.2.1]hept-1-ene (PubChem CID 175443807) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 5-(3-phenylpropyl)bicyclo[2.2.1]hept-1-ene.

Molecular Properties

Compound Name5-(3-phenylpropyl)bicyclo[2.2.1]hept-1-ene
PubChem CID175443807
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name5-(3-phenylpropyl)bicyclo[2.2.1]hept-1-ene
SMILESC1=C2CC(C1)C(CCCc1ccccc1)C2
InChIInChI=1S/C16H20/c1-2-5-13(6-3-1)7-4-8-15-11-14-9-10-16(15)12-14/h1-3,5-6,9,15-16H,4,7-8,10-12H2
InChIKeyIHWLDCGGSKWXGT-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.37
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

trans-(1S,2R)-4-oxo-2-(3-phenylpropyl)cyclopentane-1-carboxylic acid
CID 22819708
4-phenylbutylbenzene
CID 141301927
N-[2-(3-phenylpropyl)cyclopropyl]formamide
CID 178170175
1,4-bis(3-phenylpropyl)benzene
CID 59467322
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
CID 159131095
CID 159131095
4-cyclopropylbutylbenzene
CID 10261592
2-(3-phenylpropyl)cyclopentane-1,3-dione
CID 25171357
3-(3-phenylpropyl)piperidine-4-carbaldehyde
CID 174524805
cis-tert-butyl (1S,2S)-2-(3-phenylpropyl)cyclopropane-1-carboxylate
CID 169232126
2-(3-phenylpropyl)-1,4-dioxane
CID 100963956

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylpropyl)bicyclo[2.2.1]hept-1-ene?
The IUPAC name of 5-(3-phenylpropyl)bicyclo[2.2.1]hept-1-ene (CID 175443807) is 5-(3-phenylpropyl)bicyclo[2.2.1]hept-1-ene.
What is the SMILES notation for 5-(3-phenylpropyl)bicyclo[2.2.1]hept-1-ene?
The canonical SMILES for 5-(3-phenylpropyl)bicyclo[2.2.1]hept-1-ene is C1=C2CC(C1)C(CCCc1ccccc1)C2.
What is the InChIKey of 5-(3-phenylpropyl)bicyclo[2.2.1]hept-1-ene?
The InChIKey is IHWLDCGGSKWXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-2-5-13(6-3-1)7-4-8-15-11-14-9-10-16(15)12-14/h1-3,5-6,9,15-16H,4,7-8,10-12H2.
What are the key properties of 5-(3-phenylpropyl)bicyclo[2.2.1]hept-1-ene?
5-(3-phenylpropyl)bicyclo[2.2.1]hept-1-ene has a molecular weight of 212.34 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpropyl)bicyclo[2.2.1]hept-1-ene is sourced from PubChem (CID 175443807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).