5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene

C20H28 — CID 158918513

IUPAC5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene
SMILESC=C(C)C1CC2C=CC1C2.C=C(C)C1CC2C=CC1C2
InChIInChI=1S/2C10H14/c2*1-7(2)10-6-8-3-4-9(10)5-8/h2*3-4,8-10H,1,5-6H2,2H3
InChIKeyJHNPXWHJYSZTRG-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.55
Rot. Bonds2

About 5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene

5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene (PubChem CID 158918513) has the molecular formula C20H28 and a molecular weight of 268.44 g/mol. Its IUPAC name is 5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene
PubChem CID158918513
Molecular FormulaC20H28
Molecular Weight268.44 g/mol
Exact Mass268.22
IUPAC Name5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene
SMILESC=C(C)C1CC2C=CC1C2.C=C(C)C1CC2C=CC1C2
InChIInChI=1S/2C10H14/c2*1-7(2)10-6-8-3-4-9(10)5-8/h2*3-4,8-10H,1,5-6H2,2H3
InChIKeyJHNPXWHJYSZTRG-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.55
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-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethanone
CID 11869221
(NZ)-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylidene]hydroxylamine
CID 5365542
3-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylbut-2-enoic acid
CID 70256945
(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxyethanimine
CID 155319054
ethyl (1R,2R,4R)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 10899051
methyl (1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 10964695
1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-2-methylpropan-1-one
CID 102086343
bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;zirconium
CID 87662542
bicyclo[2.2.1]hept-5-ene-2-carbothioic S-acid
CID 139905426
1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]hexan-1-one
CID 102272291
(2S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-2-hydroxypropan-1-one
CID 10034968
bis(1-(2-bicyclo[2.2.1]hept-5-enyl)ethanone);butan-2-one;cyclopenta-1,3-diene
CID 161289991

Frequently Asked Questions

What is the IUPAC name of 5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene (CID 158918513) is 5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene is C=C(C)C1CC2C=CC1C2.C=C(C)C1CC2C=CC1C2.
What is the InChIKey of 5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene?
The InChIKey is JHNPXWHJYSZTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14/c2*1-7(2)10-6-8-3-4-9(10)5-8/h2*3-4,8-10H,1,5-6H2,2H3.
What are the key properties of 5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene?
5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene has a molecular weight of 268.44 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 158918513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).