(1S,4S)-5-[(E)-prop-1-enyl]bicyclo[2.2.1]hept-2-ene

C10H14 — CID 58746218

IUPAC(1S,4S)-5-[(E)-prop-1-enyl]bicyclo[2.2.1]hept-2-ene
SMILESC/C=C/C1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C10H14/c1-2-3-9-6-8-4-5-10(9)7-8/h2-5,8-10H,6-7H2,1H3/b3-2+/t8-,9?,10-/m1/s1
InChIKeyCJQNJRMLJAAXOS-UTNPCOASSA-N
MW134.22 g/mol
LogP2.77
Rot. Bonds1

About (1S,4S)-5-[(E)-prop-1-enyl]bicyclo[2.2.1]hept-2-ene

(1S,4S)-5-[(E)-prop-1-enyl]bicyclo[2.2.1]hept-2-ene (PubChem CID 58746218) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is (1S,4S)-5-[(E)-prop-1-enyl]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(1S,4S)-5-[(E)-prop-1-enyl]bicyclo[2.2.1]hept-2-ene
PubChem CID58746218
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name(1S,4S)-5-[(E)-prop-1-enyl]bicyclo[2.2.1]hept-2-ene
SMILESC/C=C/C1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C10H14/c1-2-3-9-6-8-4-5-10(9)7-8/h2-5,8-10H,6-7H2,1H3/b3-2+/t8-,9?,10-/m1/s1
InChIKeyCJQNJRMLJAAXOS-UTNPCOASSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.77
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-but-1-enylbicyclo[2.2.1]hept-2-ene
CID 54508174
(E)-2-(2-bicyclo[2.2.1]hept-5-enyl)ethenamine
CID 89078069
5-buta-1,3-dienylbicyclo[2.2.1]hept-2-ene
CID 54145827
(E)-4-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylbut-3-en-2-ol
CID 12567594
5-[(E)-pent-1-enyl]bicyclo[2.2.1]hept-2-ene
CID 18522509
(5R)-5-ethenylbicyclo[2.2.1]hept-2-ene
CID 6428575
(4R)-bicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 118065983
(1R,4S,5S)-5-ethenylbicyclo[2.2.1]hept-2-ene
CID 6427482
5-hex-1-enylbicyclo[2.2.1]hept-2-ene
CID 54301610
(E)-3-[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]prop-2-enoic acid
CID 44607797
sodium;bicyclo[2.2.1]hept-5-ene-2-carbaldehyde;hydride
CID 173449401
1-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxymethanimine
CID 91172290

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-5-[(E)-prop-1-enyl]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of (1S,4S)-5-[(E)-prop-1-enyl]bicyclo[2.2.1]hept-2-ene (CID 58746218) is (1S,4S)-5-[(E)-prop-1-enyl]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (1S,4S)-5-[(E)-prop-1-enyl]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (1S,4S)-5-[(E)-prop-1-enyl]bicyclo[2.2.1]hept-2-ene is C/C=C/C1C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of (1S,4S)-5-[(E)-prop-1-enyl]bicyclo[2.2.1]hept-2-ene?
The InChIKey is CJQNJRMLJAAXOS-UTNPCOASSA-N. The full InChI is InChI=1S/C10H14/c1-2-3-9-6-8-4-5-10(9)7-8/h2-5,8-10H,6-7H2,1H3/b3-2+/t8-,9?,10-/m1/s1.
What are the key properties of (1S,4S)-5-[(E)-prop-1-enyl]bicyclo[2.2.1]hept-2-ene?
(1S,4S)-5-[(E)-prop-1-enyl]bicyclo[2.2.1]hept-2-ene has a molecular weight of 134.22 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-5-[(E)-prop-1-enyl]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 58746218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).